SCHEMBL13613855

SCHEMBL13613855

CC1(C)CCC(=O)c2ccc([Si](C)(C)C)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.37
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
USP7 Q93009 1/20 0.34
GRM5 P41594 2/20 0.34
HIF1A Q16665 3/20 0.32
EPAS1 Q99814 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CES2 O00748 1/20 0.32
APAF1 O14727 1/20 0.32
TERT O14746 1/20 0.32
EED O75530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 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
SCHEMBL5648628 0.78 PGR (0.49) PGRGRM5KDM4EMEN1ALDH1A1
SCHEMBL3893981 0.77 MALT1 (0.41) PGRTDP1L3MBTL1ESR1ESR2
SCHEMBL1806400 0.77 PBRM1 (0.49) KDM4EALDH1A1LMNAMAPTESR1
SCHEMBL24055007 0.77 PGR (0.50) PGRAKR1B1
SCHEMBL15717088 0.77 MALT1 (0.41) PGRMAPTAKR1B1CES1
SCHEMBL4517661 0.75 RARB (0.39) PGRGRM5RARARARBRARG
SCHEMBL1808153 0.74 KDM4E (0.49) KDM4EMEN1ALDH1A1MAPK1KMT2A
SCHEMBL8648418 0.74 HPGD (0.43) PGRHIF1AEPAS1KDM4ECES2
SCHEMBL6236790 0.74 CYP26A1 (0.39) PGRMEN1ALDH1A1LMNAMAPT
SCHEMBL14438304 0.73 RXRA (0.43) RARARARBRARGRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 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-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 PGR 517/4885FNTA 1274/4885FNTB 660/4885

“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.