SCHEMBL10100062

SCHEMBL10100062

C=C(Br)C[C@@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMYD2 Q9NRG4 2/20 0.33
TRPA1 O75762 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10100063 1.00 CYP3A4 (0.34) CYP3A4HTTSMN1; SMN2SMYD2TRPA1
SCHEMBL10100061 1.00 CYP3A4 (0.34) CYP3A4HTTSMN1; SMN2SMYD2TRPA1
SCHEMBL12432641 0.92 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL12432646 0.92 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL18082175 0.88 SMYD2 (0.35) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL4264816 0.87 CYP3A4 (0.38) CYP3A4HTTSMN1; SMN2SMYD2TRPA1
SCHEMBL18047522 0.85 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2TRPA1
SCHEMBL18047524 0.85 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2TRPA1
SCHEMBL14574000 0.84 CYP3A4 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL5155697 0.84 CYP3A4 (0.37) CYP3A4HTTSMN1; SMN2SMYD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643418-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-05-09 US disclosed
US-11643418-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-05-09 US disclosed
CN-114716453-A Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B 卫材R&D管理有限公司 2022-07-08 CN disclosed
CN-109942560-B Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B 卫材R&D管理有限公司 2022-06-17 CN disclosed
EP-3689881-B1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MAN CO LTD (JP) 2022-01-12 EP disclosed
US-20210188867-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-24 US disclosed
US-10934307-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-02 US disclosed
EP-3689881-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B Eisai R&D Management Co., Ltd. (JP) 2020-08-05 EP disclosed
US-20200223864-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-16 US disclosed
US-10611773-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-04-07 US disclosed
US-RE45324-E1 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-06 US disclosed
US-8884031-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-11-11 US disclosed
US-20140221635-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-07 US disclosed
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-12 US disclosed
US-20130237711-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
US-8445701-B2 Intermediates for the preparation of analogs of halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-21 US disclosed
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-06 US disclosed
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-02 US disclosed
US-7982060-B2 Intermediates for the preparation of analogs of Halichondrin B EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-19 US disclosed
US-20070244187-A1 Intermediates for the Preparation of Halichondrin B EISAI CO., LTD (JP) 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244187-A1 Intermediates for the Preparation of Halichondrin B CDK4, CCNB1, CDK14 CYP3A4 910/4885HTT 1134/4885SMN1; SMN2 2707/4885
US-20130237711-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CYP3A4 3206/4885HTT 2309/4885SMN1; SMN2 2374/4885
US-20200223864-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B ERLIN1, MAN1B1, DHPS CYP3A4 1097/4885HTT 1329/4885SMN1; SMN2 3712/4885
US-20140221635-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B ACVR1B, ACVR2B, BMP2 CYP3A4 1831/4885HTT 1888/4885SMN1; SMN2 966/4885
US-10934307-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B ERLIN1, MAN1B1, DHPS CYP3A4 1097/4885HTT 1329/4885SMN1; SMN2 3712/4885
US-11643418-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B ERLIN1, MAN1B1, DHPS CYP3A4 1735/4885HTT 877/4885SMN1; SMN2 3443/4885
US-10611773-B2 Macrocyclization reactions and intermediates and other fragments useful in the synthesis of analogs of halichondrin B ERLIN1, MAN1B1, DHPS CYP3A4 1097/4885HTT 1329/4885SMN1; SMN2 3712/4885
US-20210188867-A1 MACROCYCLIZATION REACTIONS AND INTERMEDIATES AND OTHER FRAGMENTS USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B ERLIN1, MAN1B1, DHPS CYP3A4 1735/4885HTT 877/4885SMN1; SMN2 3443/4885
US-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CYP3A4 3206/4885HTT 2309/4885SMN1; SMN2 2374/4885
US-20120309988-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B ACVR1B, ACVR2B, BMP2 CYP3A4 1831/4885HTT 1888/4885SMN1; SMN2 966/4885
US-20140163242-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B CYP3A4 3206/4885HTT 2309/4885SMN1; SMN2 2374/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.