SCHEMBL12077100

SCHEMBL12077100

O=C(O)C(Oc1nn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.52
▸ CNR2 P34972 2/20 0.52
▸ ACHE P22303 1/20 0.52
▸ PTGER4 P35408 7/20 0.51
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GUCY1B2 O75343 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ GUCY1A2 P33402 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46

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
SCHEMBL12077492 0.92 CNR1 (0.60) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL12077014 0.89 PTGER4 (0.54) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL12077280 0.87 F2RL3 (0.49) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL12076984 0.79 F2RL3 (0.50) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL27923057 0.78 CNR2 (0.64) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL12077272 0.77 KMT2A (0.51) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL9917403 0.77 CNR2 (0.81) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL3500587 0.77 CYP1A2 (0.70) CNR1PTGER4CYP1A2CYP2D6KDM4E
SCHEMBL30493974 0.77 CYP1A2 (0.70) CNR1PTGER4CYP1A2CYP2D6KDM4E
SCHEMBL2739310 0.75 CNR2 (0.65) CNR1CNR2ACHEPTGER4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502916-B1 ORGANIC DICARBOXYLIC ACIDS, SALTS AND PREPARATION METHOD THEREOF UNIV SOUTHEAST (CN) 2014-04-30 — — EP disclosed
US-8637677-B2 Organic dicarboxylic acids, salts and preparation method thereof SOUTHEAST UNIVERSITY (CN) 2014-01-28 — — US disclosed
EP-2502916-A1 ORGANIC DICARBOXYLIC ACIDS, SALTS AND PREPARATION METHOD THEREOF Southeast University (CN) 2012-09-26 — — EP disclosed
US-20120226051-A1 ORGANIC DICARBOXYLIC ACIDS, SALTS AND PREPARATION METHOD THEREOF SOUTHEAST UNIVERSITY (CN) 2012-09-06 — — 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 (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-20120226051-A1 ORGANIC DICARBOXYLIC ACIDS, SALTS AND PREPARATION METHOD THEREOF OTC, OGDH, SLC25A11 CNR1 4322/4885CNR2 4368/4885ACHE 2958/4885

“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.

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