SCHEMBL7218954

SCHEMBL7218954

CC(C)(C)[Si](C)(C)O[C@H](CCCBr)COCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
TSHR P16473 1/20 0.35
TACR1 P25103 2/20 0.35
PPARA Q07869 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CASR P41180 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
SCHEMBL7221319 0.85 GHSR (0.39) CA1CA2CA7CA9TSHR
SCHEMBL7246157 0.84 FOLH1 (0.39) CA1CA2CA7CA9PPARA
SCHEMBL15524705 0.82 CA1 (0.42) CA1CA2CA7CA9TSHR
SCHEMBL15524706 0.82 CA1 (0.42) CA1CA2CA7CA9TSHR
SCHEMBL4570494 0.82 CA1 (0.42) CA1CA2CA7CA9TSHR
SCHEMBL16820724 0.81 CA1 (0.41) CA1CA2CA7CA9TSHR
SCHEMBL18027565 0.81 CA1 (0.41) CA1CA2CA7CA9TSHR
SCHEMBL16616685 0.81 CA1 (0.41) CA1CA2CA7CA9TSHR
SCHEMBL7221734 0.81 PLA2G10 (0.34) CA1CA2CA7CA9PPARA
SCHEMBL519636 0.79 L3MBTL1 (0.44) TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6512003-B2 Depolymerization activity and polymerization inhibition of tubulin; antiproliferative agents PARKER HUGHES INSTITUTE 2003-01-28 US disclosed
US-20020151580-A1 Synthetic spiroketal pyranes as potent anti-cancer agents and use PARKER HUGHES INSTITUTE (US) 2002-10-17 US disclosed
US-6335364-B1 TUBULIN POLYMERIZATION INHIBITORS; ANTIPROLIFERATIVE AND ANTITUMOR AGENTS PARKER HUGHES INSTITUTE 2002-01-01 US disclosed
EP-1091978-A2 SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS Parker Hughes Institute (US) 2001-04-18 EP disclosed
WO-2000000514-A9 SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INST (US) 2000-07-20 WO disclosed
WO-2000000514-A2 SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INSTITUTE (US) 2000-01-06 WO 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 (1 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-20020151580-A1 Synthetic spiroketal pyranes as potent anti-cancer agents and use TUBB6, TUBAL3, TUBB1 CA1 3104/4885CA2 3849/4885CA7 3952/4885

“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.