SCHEMBL4428530

SCHEMBL4428530

CC1=CCC(C)(C)c2cc(C(C=Cc3ccc(C(=O)O)cc3)=NO)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 15/20 0.48
RARB P10826 14/20 0.48
RARG P13631 14/20 0.48
RXRA P19793 5/20 0.48
NR2E1 Q9Y466 1/20 0.48
CYP26A1 O43174 2/20 0.40
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
BLM P54132 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4428527 1.00 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL13950532 1.00 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL4430902 1.00 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL13938671 0.86 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL3898558 0.86 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL3898555 0.86 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL3900887 0.86 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL3900892 0.86 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL4417571 0.85 RARA (0.36) RARARARBRARGRXRANR2E1
SCHEMBL4417575 0.85 RARA (0.36) RARARARBRARGRXRANR2E1

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-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US 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 RARA 4/4885RARB 3/4885RARG 1/4885

“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.