SCHEMBL843172

SCHEMBL843172

CCn1cc(C(=O)O)c(=O)cc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.57
CNR1 P21554 7/20 0.49
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HIF1A Q16665 1/20 0.41
MYC P01106 1/20 0.41
MEN1 O00255 1/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10991207 0.88 CNR2 (0.56) CNR2CNR1
SCHEMBL10989639 0.88 CNR2 (0.47) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL10998292 0.87 CNR2 (0.46) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL10992081 0.87 CNR2 (0.50) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL11160417 0.86 ACMSD (0.49) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL10993811 0.86 CNR2 (0.50) CNR2CNR1MEN1KMT2A
SCHEMBL10990937 0.86 MCL1 (0.48) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL858856 0.86 CNR2 (0.64) CNR2CNR1
SCHEMBL11372017 0.85 CNR2 (0.45) CNR2CNR1TSHRKDM4EALDH1A1
SCHEMBL10994806 0.85 CYP3A4 (0.46) CNR2KDM4EALDH1A1RAB9AMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853225-A Process for implanting a medicament depot MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-08-01 US claimed
EP-0003144-B1 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION, THEIR APPLICATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-05 EP claimed
US-20120149735-A1 1,4-Dihydropyridine Derivatives and Their Uses CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) 2012-06-14 US disclosed
EP-2432763-A1 1,4 DIHYDROPYRIDINE DERIVATIVES AND THEIR USES Université de Lille 2 Droit et Santé (FR) 2012-03-28 EP disclosed
EP-2261211-A1 1,4-dihydropyridine derivatives and their uses Université de Lille 2 Droit et Santé (FR) 2010-12-15 EP disclosed
WO-2010133973-A1 1,4 DIHYDROPYRIDINE DERIVATIVES AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2010-11-25 WO disclosed
US-4853225-A Process for implanting a medicament depot MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-08-01 US disclosed
US-4549022-A ANTIBACTERIAL AGENT; STIMULANT ON CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-10-22 US disclosed
US-4521535-A ANTIBACTERIAL AGENTS; STIMULANTS FOR CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-06-04 US disclosed
EP-0003144-B1 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION, THEIR APPLICATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-05 EP disclosed
EP-0003144-A2 4-Pyridone-3-carboxylic acid derivatives, pharmaceutical compositions containing them, processes for their preparation, their application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-25 EP 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 (1 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-20120149735-A1 1,4-Dihydropyridine Derivatives and Their Uses CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885TSHR 2488/4885

“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.