SCHEMBL4517231

SCHEMBL4517231

Cc1cc2c(cc1O[Si](C)(C)C(C)(C)C)C(C)(C)CCC2=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
GRM5 P41594 1/20 0.32
PREP P48147 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CES2 O00748 1/20 0.30
APAF1 O14727 1/20 0.30
TERT O14746 1/20 0.30
EED O75530 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
AKR1B1 P15121 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CES1 P23141 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 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
SCHEMBL4518869 0.79 RXRA (0.39) RXRAGRM5KDM4EMEN1ALDH1A1
SCHEMBL8771897 0.78 CA12 (0.43) RXRAGRM5PREPKDM4EMEN1
SCHEMBL5706367 0.76 RXRA (0.40) RXRA
SCHEMBL6087071 0.74 MALT1 (0.40) RXRAKDM4EMEN1ALDH1A1HPGD
SCHEMBL4517278 0.73 RXRA (0.34) RXRA
SCHEMBL6085981 0.72 GRIN2D (0.40) RXRAKDM4EALDH1A1HPGD
SCHEMBL4508684 0.70 ESR1 (0.38) RXRAGRM5KDM4EMEN1CES2
SCHEMBL5649035 0.70 CES1 (0.37) RXRAGRM5KDM4EMEN1CES2
SCHEMBL4513355 0.70 DRD2 (0.39) RXRAKDM4EMEN1ALDH1A1LMNA
SCHEMBL4517336 0.70 DRD2 (0.37) KDM4EMEN1MAPTKMT2A

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-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-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 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
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 RXRA 351/4885GRM5 2763/4885PREP 1338/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 RXRA 10/4885GRM5 2157/4885PREP 879/4885
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 RXRA 351/4885GRM5 2763/4885PREP 1338/4885

“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.