SCHEMBL4843508

SCHEMBL4843508

CCCCCC(C#Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.47
RARG P13631 9/20 0.47
RARA P10276 7/20 0.45
CYP26A1 O43174 3/20 0.39
CYP3A4 P08684 3/20 0.39
CRABP2 P29373 1/20 0.39
RXRA P19793 8/20 0.38
HNF4A P41235 2/20 0.38
CYP26B1 Q9NR63 2/20 0.37
RXRB P28702 3/20 0.35
RXRG P48443 2/20 0.35
KDM1A O60341 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
SCHEMBL4847633 0.92 HDAC1 (0.39) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4844192 0.85 KDM1A (0.39) RARBRARGRARARXRAHNF4A
SCHEMBL14196315 0.85 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6147343 0.81 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4848988 0.80 KDM1A (0.40) RARBRARGRXRAHNF4AKDM1A
SCHEMBL4848678 0.79 KDM1A (0.40) RARBRARGRXRAHNF4AKDM1A
SCHEMBL4850254 0.77 KDM1A (0.38) RARBRARGRXRAHNF4AKDM1A
SCHEMBL4846944 0.76 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6606402 0.76 RARB (0.39) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4853714 0.74 HDAC1 (0.39) RARBRARGRARACYP26A1CYP3A4

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 5/4885RARG 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.