SCHEMBL10101466

SCHEMBL10101466

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
PTPN1 P18031 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
SCHEMBL19440125 1.00 THRB (0.31) THRBPTPN1
SCHEMBL10100059 1.00 THRB (0.31) THRBPTPN1
SCHEMBL17017524 0.79 GPR84 (0.45)
SCHEMBL17411311 0.74
SCHEMBL936250 0.74
SCHEMBL936253 0.74
SCHEMBL936419 0.74
SCHEMBL758285 0.73 THRB (0.44) THRBPTPN1
SCHEMBL9356945 0.71 TET2 (0.48) PTPN1
SCHEMBL3844086 0.70 THRB (0.42) THRBPTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2949652-A1 Intermediates for the preparation of halichondrin B Eisai R&D Management Co., Ltd. (JP) 2015-12-02 EP disclosed
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-08-20 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

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

For each of this compound's patents that has machine-readable text (2 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-20120029213-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B THRB 1414/4885PTPN1 4770/4885
US-20150232490-A1 INTERMEDIATES FOR THE PREPARATION OF ANALOGS OF HALICHONDRIN B DHPS, BMP2, CDK11B THRB 1414/4885PTPN1 4770/4885

“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.