SCHEMBL3903148

SCHEMBL3903148

Cc1ccc2cc(C=O)ccc2c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
UNG P13051 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
ERN1 O75460 2/20 0.37
CYP2A6 P11509 7/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL28607053 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL3627607 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL931068 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL11591905 0.78 PTPN1 (0.50) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL2750024 0.78 KDM4E (0.44) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL22228081 0.77 MEN1 (0.68) ALDH1A1KDM4EMEN1CYP1A2GLA
Ethylene SCHEMBL28494344 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL4751251 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL2747254 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1CYP1A2GLA
Propene SCHEMBL28492822 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1CYP1A2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701934-B1 DISUBSTITUTED CHALCONE OXIMES HAVING RAR(Gamma)-RETINOID RECEPTOR ANTAGONIST ACTIVITY ALLERGAN INC (US) 2009-02-25 EP disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7432388-B2 Disubstituted chalcone oximes having RARγ retinoid receptor antagonist activity ALLERGAN, INC. (US) 2008-10-07 US disclosed
US-20080097119-A1 Disubstituted chalcone oximes having RARgamma retinoid receptor antagonist activity TSANG KWOK Y 2008-04-24 US disclosed
US-7253319-B2 Disubstituted chalcone oximes having RARγ retinoid receptor antagonist activity ALLERGAN, INC. (US) 2007-08-07 US disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
EP-1701934-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RAR(Gamma)-RETINOID RECEPTOR ANTAGONIST ACTIVITY Allergan, Inc. (US) 2006-09-20 EP disclosed
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity ALLERGAN, INC. 2005-07-28 US disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed
WO-2005066115-A2 DISUBSTITUTED CHALCONE OXIMES HAVING RARϜ RETINOID RECEPTOR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2005-07-21 WO disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 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-20080097119-A1 Disubstituted chalcone oximes having RARgamma retinoid receptor antagonist activity RARG, RARB, RARA ALDH1A1 421/4885KDM4E 2765/4885MEN1 4867/4885
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity RARB, RARG, RARA ALDH1A1 398/4885KDM4E 2153/4885MEN1 4853/4885
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB ALDH1A1 1103/4885KDM4E 3446/4885MEN1 4879/4885

“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.