SCHEMBL3897608

SCHEMBL3897608

Cc1ccc2c(C=O)cccc2c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PDE10A Q9Y233 1/20 0.36
POLB P06746 3/20 0.35
APEX1 P27695 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ERN1 O75460 2/20 0.35
MCL1 Q07820 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL7220541 0.81 CA1 (0.48) CYP19A1ALDH1A1TDP1L3MBTL1TRIM24
SCHEMBL2320182 0.80 ALDH1A1 (0.54) CYP19A1ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL1048314 0.80 CYP1A2 (0.52) ALDH1A1TDP1L3MBTL1CYP3A4PDE10A
SCHEMBL10015553 0.80 LDHA (0.47) ALDH1A1TDP1L3MBTL1CYP3A4PDE10A
SCHEMBL13092591 0.77 ERN1 (0.47) ALDH1A1TSHRTDP1TRIM24TRIM33
SCHEMBL9558286 0.77 NR4A1 (0.50) ALDH1A1TDP1L3MBTL1CYP3A4POLB
SCHEMBL20659192 0.76 TDP1 (0.41) ALDH1A1TDP1L3MBTL1CYP3A4PDE10A
SCHEMBL3819511 0.76 TDP1 (0.46) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL2563848 0.75 ALDH1A1 (0.52) CYP19A1ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL29957919 0.74 ALDH1A1 (0.60) ALDH1A1TSHRTDP1TRIM24TRIM33

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 CYP19A1 143/4885ALDH1A1 421/4885TSHR 64/4885
US-20050165095-A1 Disubstituted chalcone oximes having RARy retinoid receptor antagonist activity RARB, RARG, RARA CYP19A1 102/4885ALDH1A1 398/4885TSHR 58/4885
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB CYP19A1 111/4885ALDH1A1 1103/4885TSHR 136/4885

“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.