SCHEMBL4847176

SCHEMBL4847176

CCCCCC(/C=C/c1ccc(C(=O)OC)cc1)c1ccc2c(c1)N(C)CCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.41
RARA P10276 7/20 0.41
RARG P13631 6/20 0.39
CYP3A4 P08684 3/20 0.38
CYP26A1 O43174 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ERAP2 Q6P179 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
CRHR1 P34998 1/20 0.33
TLR8 Q9NR97 1/20 0.33
PTPN1 P18031 1/20 0.33
RXRA P19793 1/20 0.33
HNF4A P41235 1/20 0.33
GRM2 Q14416 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
SCHEMBL4847182 1.00 RARB (0.41) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4851168 0.91 RARB (0.49) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4850406 0.91 RARB (0.49) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4850415 0.91 RARB (0.49) RARBRARARARGCYP3A4CYP26A1
SCHEMBL27530878 0.90 RARB (0.40) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4842232 0.90 RARB (0.48) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4842247 0.90 RARB (0.48) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4842239 0.90 RARB (0.48) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4853714 0.86 HDAC1 (0.39) RARBRARARARGCYP3A4CYP26A1
SCHEMBL4853709 0.86 HDAC1 (0.39) RARBRARARARGCYP3A4CYP26A1

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 7 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
EP-1442032-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030158178-A1 Heterocyclic retinoid compounds SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
WO-2003037882-A1 HETEROCYCLIC RETINOID COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO 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 5/4885RARA 4/4885RARG 1/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA RARB 5/4885RARA 4/4885RARG 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.