SCHEMBL4418790

SCHEMBL4418790

CC1(C)CC(C)(C)c2cc(C(=O)C=Cc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.63
RARG P13631 10/20 0.63
RARA P10276 8/20 0.63
CYP26A1 O43174 2/20 0.57
RXRA P19793 6/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
BLM P54132 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL4418785 1.00 RARB (0.63) RARBRARGRARACYP26A1RXRA
SCHEMBL4315169 0.92 RARB (0.75) RARBRARGRARACYP26A1RXRA
SCHEMBL4315172 0.92 RARB (0.75) RARBRARGRARACYP26A1RXRA
SCHEMBL6017459 0.86 CYP26A1 (0.51) RARBRARGRARACYP26A1NPC1
SCHEMBL4421849 0.85 RARB (0.57) RARBRARGRARACYP26A1RXRA
SCHEMBL4427135 0.85 RARB (0.57) RARBRARGRARACYP26A1RXRA
SCHEMBL4421845 0.85 RARB (0.57) RARBRARGRARACYP26A1RXRA
SCHEMBL13950505 0.85 RARB (0.57) RARBRARGRARACYP26A1RXRA
SCHEMBL4421842 0.85 RARB (0.57) RARBRARGRARACYP26A1RXRA
SCHEMBL6017460 0.84 RARB (0.51) RARBRARGRARACYP26A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
EP-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS 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 (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-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB RARB 3/4885RARG 1/4885RARA 4/4885

“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.