SCHEMBL6483485

SCHEMBL6483485

CC(C)(C)[Si](C)(C)OCCc1ccc(CO)nc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
DUT P33316 2/20 0.32
S1PR1 P21453 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL30467053 0.90 CYP4F2 (0.34) CYP4F2CYP4A11DUTHRH3
SCHEMBL20301952 0.90 CYP4F2 (0.34) CYP4F2CYP4A11DUTHRH3
SCHEMBL31601511 0.88 PPARG (0.34) CYP4F2CYP4A11DUTHRH3
SCHEMBL4014531 0.85 NPC1 (0.33) S1PR1
SCHEMBL28386137 0.81 CYP4F2 (0.53) CYP4F2CYP4A11
SCHEMBL2881587 0.80 NPC1 (0.37)
SCHEMBL17428939 0.80 KMT2A (0.41) DUT
SCHEMBL29549918 0.80 NPC1 (0.37)
SCHEMBL23461744 0.79 DUT (0.35) CYP4F2CYP4A11DUTHRH3
SCHEMBL31601522 0.79 HRH3 (0.33) DUTHRH3

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
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-6900209-B2 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. 2005-05-31 US disclosed
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2004-03-04 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-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition PSEN1, BDNF, H1-5 CYP4F2 1621/4885CYP4A11 831/4885DUT 4699/4885
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 CYP4F2 107/4885CYP4A11 355/4885DUT 413/4885

“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.