SCHEMBL3712428

SCHEMBL3712428

CC(C)(C)[Si](C)(C)Oc1cc(C(=O)O)cc(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TPMT P51580 6/20 0.41
PTGS2 P35354 1/20 0.40
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL20378741 0.86 CA12 (0.42) CA12CA1CA2CA4CA6
SCHEMBL4874863 0.84 MEN1 (0.48) KMT2A
SCHEMBL31111349 0.83 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL16312194 0.82 PKM (0.39) CA12CA1CA2CA4CA6
SCHEMBL8940576 0.81 CA12 (0.51) CA12CA1CA2CA4CA6
SCHEMBL29724091 0.81 CA12 (0.43) CA12CA1CA2CA4CA6
SCHEMBL8696286 0.79 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL3964477 0.79 HTT (0.58) CA12CA1CA2CA4CA6
SCHEMBL4129848 0.79 HTT (0.49) CA12CA1CA2CA4CA6
SCHEMBL3296656 0.79 CA12 (0.41) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116144011-B Polyethylene glycol tail chain water-soluble polyphenol polymer and preparation method and application thereof 上海师范大学 2025-02-28 CN claimed
CN-116144011-A Polyethylene glycol tail chain water-soluble polyphenol polymer and preparation method and application thereof 上海师范大学 2023-05-23 CN claimed
CN-116144011-B Polyethylene glycol tail chain water-soluble polyphenol polymer and preparation method and application thereof 上海师范大学 2025-02-28 CN disclosed
CN-117720515-B GASDERMINS protein PROTAC degradation agent and preparation method and application thereof 中国药科大学 2024-04-26 CN disclosed
CN-117720515-A Gasdenmins protein PROTAC degradation agent and preparation method and application thereof 中国药科大学 2024-03-19 CN disclosed
CN-116144011-A Polyethylene glycol tail chain water-soluble polyphenol polymer and preparation method and application thereof 上海师范大学 2023-05-23 CN disclosed
US-9359395-B2 Prodrugs of steroidal CYP17 inhibitors/antiandrogens TOKAI PHARMACEUTICALS, INC. (US) 2016-06-07 US disclosed
EP-3023433-A1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS Tokai Pharmaceuticals, Inc. (US) 2016-05-25 EP disclosed
EP-2393827-B1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS TOKAI PHARMACEUTICALS INC (US) 2015-10-07 EP disclosed
US-20140371181-A1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS TOKAI PHARMACEUTICALS, INC. 2014-12-18 US disclosed
US-20110312916-A1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS TOKAI PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
EP-2393827-A1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS Tokai Pharmaceuticals, Inc. (US) 2011-12-14 EP disclosed
WO-2010091306-A1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS TOKAI PHARMACEUTICALS (US) 2010-08-12 WO disclosed
US-7700646-B2 Compounds for use in the treatment of infection THE UNIVERSITY OF LONDON, SCHOOL OF PHARMACY (GB) 2010-04-20 US disclosed
US-20070021384-A1 Compounds for use in the treatment of infection SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2007-01-25 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 (3 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-20140371181-A1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS CYP21A2, CYP17A1, CYP19A1 CA12 2788/4885CA1 3165/4885CA2 2851/4885
US-20110312916-A1 NOVEL PRODRUGS OF STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS CYP21A2, CYP17A1, CYP19A1 CA12 2382/4885CA1 2394/4885CA2 2889/4885
US-20070021384-A1 Compounds for use in the treatment of infection C9, APEH, GRHPR CA12 4195/4885CA1 3883/4885CA2 4167/4885

“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.