SCHEMBL4850323

SCHEMBL4850323

CCCCCC(C=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)OCCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.50
RARG P13631 13/20 0.50
RARA P10276 12/20 0.50
RXRA P19793 8/20 0.44
HNF4A P41235 2/20 0.44
RXRB P28702 2/20 0.39
CYP26A1 O43174 2/20 0.38
CYP3A4 P08684 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
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4850319 1.00 RARB (0.50) RARBRARGRARARXRAHNF4A
SCHEMBL4850328 1.00 RARB (0.50) RARBRARGRARARXRAHNF4A
SCHEMBL6147479 0.93 RARA (0.54) RARBRARGRARARXRAHNF4A
SCHEMBL6146451 0.93 RARA (0.54) RARBRARGRARARXRAHNF4A
SCHEMBL6146448 0.93 RARA (0.54) RARBRARGRARARXRAHNF4A
SCHEMBL6147473 0.93 RARA (0.54) RARBRARGRARARXRAHNF4A
SCHEMBL4845461 0.90 RARB (0.49) RARBRARGRARARXRAHNF4A
SCHEMBL4845468 0.90 RARB (0.49) RARBRARGRARARXRAHNF4A
SCHEMBL4845457 0.90 RARB (0.49) RARBRARGRARARXRAHNF4A
SCHEMBL4843938 0.89 RARA (0.41) RARBRARGRARARXRAHNF4A

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
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP claimed
US-7354931-B2 Treating obstructive airway disorders using nontoxic drug ROCHE PALO ALTO LLC (US) 2008-04-08 US disclosed
EP-1442032-B1 HETEROCYCLIC RETINOID COMPOUNDS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
US-20050049238-A1 Heterocyclic retinoid compounds KLAUS MICHAEL (DE) 2005-03-03 US disclosed
US-6818652-B2 THERAPEUTIC TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE, CANCER AND DERMATOLOGICAL SKIN DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 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 (2 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-20050049238-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA RARB 5/4885RARG 1/4885RARA 4/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA RARB 5/4885RARG 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.