SCHEMBL3096964

SCHEMBL3096964

CCOC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
STS P08842 1/20 0.53
RAB9A P51151 2/20 0.50
MAPT P10636 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2327109 0.82 F10 (0.49) CA12CA1CA2CA7CA9
SCHEMBL18985150 0.81 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL7539404 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL23036220 0.81 ALDH1A1 (0.59) ESR1ESR2LMNACYP3A4RAB9A
SCHEMBL1620440 0.79 CYP2C19 (0.54) CA12CA1CA2CA7CA9
SCHEMBL19379260 0.79 CYP2C19 (0.57) CA12CA1CA2CA7CA9
SCHEMBL87450 0.78 CA1 (0.83) CA12CA1CA2CA7CA9
SCHEMBL982169 0.78 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2163425 0.78 KMT2A (0.58) CA1CA2TSHRALDH1A1HPGD
SCHEMBL2099655 0.78 MAPT (0.55) LMNAMAOASTSRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 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 (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-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 CA12 4715/4885CA1 4885/4885CA2 4255/4885

“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.