SCHEMBL4850997

SCHEMBL4850997

CCCCCC(COc1ccc(C(=O)OC)cc1)c1ccc2c(c1)N(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
RARB P10826 4/20 0.45
RARA P10276 3/20 0.45
CYP26A1 O43174 4/20 0.43
CYP26B1 Q9NR63 2/20 0.43
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.36
HNF4A P41235 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4844416 0.91 CYP26A1 (0.54) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL6148260 0.87 CYP3A4 (0.57) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL6148261 0.87 CYP3A4 (0.57) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL6144443 0.86 RARB (0.45) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL4848993 0.82 CYP26A1 (0.54) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL4847707 0.82 CYP3A4 (0.46) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL4846989 0.82 CYP3A4 (0.46) CYP3A4RARBRARACYP26A1CYP26B1
SCHEMBL4847176 0.80 RARB (0.41) CYP3A4RARBRARACYP26A1RARG
SCHEMBL4847182 0.80 RARB (0.41) CYP3A4RARBRARACYP26A1RARG
SCHEMBL6146884 0.80 RARA (0.50) CYP3A4RARBRARACYP26A1CYP26B1

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 CYP3A4 1244/4885RARB 5/4885RARA 4/4885
US-20030158178-A1 Heterocyclic retinoid compounds RARG, RXRG, RXRA CYP3A4 1244/4885RARB 5/4885RARA 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.