SCHEMBL4845461

SCHEMBL4845461

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.49
RARG P13631 7/20 0.49
RARA P10276 6/20 0.49
KCNH2 Q12809 1/20 0.37
RXRA P19793 1/20 0.37
HNF4A P41235 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP26A1 O43174 3/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
VDR P11473 2/20 0.34
CYP26B1 Q9NR63 1/20 0.33
PTPN1 P18031 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL4845457 1.00 RARB (0.49) RARBRARGRARAKCNH2RXRA
SCHEMBL4845468 1.00 RARB (0.49) RARBRARGRARAKCNH2RXRA
SCHEMBL4850323 0.90 RARB (0.50) RARBRARGRARARXRAHNF4A
SCHEMBL4850328 0.90 RARB (0.50) RARBRARGRARARXRAHNF4A
SCHEMBL4850319 0.90 RARB (0.50) RARBRARGRARARXRAHNF4A
SCHEMBL6146573 0.87 RARA (0.52) RARBRARGRARARXRAHNF4A
SCHEMBL6146779 0.85 RARB (0.47) RARBRARGRARARXRAHNF4A
SCHEMBL6146777 0.85 RARB (0.47) RARBRARGRARARXRAHNF4A
SCHEMBL6146774 0.85 RARB (0.47) RARBRARGRARARXRAHNF4A
SCHEMBL6146781 0.85 RARB (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.