SCHEMBL12012240

SCHEMBL12012240

CC(C)(C)[Si](OC[C@@H]1C[C@H]1CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.37
CYP3A4 P08684 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
MGAM O43451 1/20 0.32

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
SCHEMBL11888045 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2CA1
SCHEMBL17411206 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2CA1
SCHEMBL23669406 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2CA1
SCHEMBL17391121 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2CA1
SCHEMBL19714890 0.93 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2MGAM
SCHEMBL30411454 0.89 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31645153 0.89 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL30158977 0.89 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL23670743 0.88 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2MGAM
SCHEMBL30158861 0.88 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
WO-2025132542-A1 MACROCYCLIC OREXIN AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-26 WO disclosed
CN-115490708-B Sulfonamide macrocyclic derivative, preparation method and application thereof 苏州亚盛药业有限公司 2025-01-24 CN disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 CN disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-9573903-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-21 US disclosed
US-20160176822-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-23 US disclosed
US-20160176873-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-23 US disclosed
US-20160176872-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-23 US disclosed
US-9365520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-14 US disclosed
WO-2016002968-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-07 WO disclosed
US-20160002169-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-07 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 (8 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-20160176873-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA SMYD2 1496/4885CYP3A4 472/4885HTT 3625/4885
US-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SMYD2 2556/4885CYP3A4 838/4885HTT 2418/4885
US-20160176822-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA SMYD2 1496/4885CYP3A4 472/4885HTT 3625/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 SMYD2 4331/4885CYP3A4 1901/4885HTT 2640/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 SMYD2 2556/4885CYP3A4 838/4885HTT 2418/4885
US-20160002169-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA SMYD2 1496/4885CYP3A4 472/4885HTT 3625/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 SMYD2 4331/4885CYP3A4 1901/4885HTT 2640/4885
US-20160176872-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA SMYD2 1496/4885CYP3A4 472/4885HTT 3625/4885

“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.