SCHEMBL12077280

SCHEMBL12077280

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 1/20 0.49
▸ ELANE P08246 2/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ PTGER4 P35408 1/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GUCY1B2 O75343 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ GUCY1A2 P33402 1/20 0.43
▸ ADRA1A P35348 1/20 0.43

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
SCHEMBL12076984 0.92 F2RL3 (0.50) F2RL3ELANECNR1CNR2ACHE
SCHEMBL12077272 0.89 KMT2A (0.51) F2RL3ELANECNR1CNR2ACHE
SCHEMBL12077100 0.87 CNR1 (0.52) F2RL3CNR1CNR2ACHEPTGER4
SCHEMBL17322915 0.80 ELANE (0.67) F2RL3ELANEPTGER4CYP1A2CYP2D6
SCHEMBL12077492 0.79 CNR1 (0.60) F2RL3CNR1CNR2ACHEPTGER4
SCHEMBL27923057 0.78 CNR2 (0.64) CNR1CNR2ACHEPTGER4CYP1A2
SCHEMBL12077014 0.76 PTGER4 (0.54) CNR1CNR2ACHEPTGER4KMT2A
SCHEMBL13186698 0.76 CYP1A2 (0.60) F2RL3CNR1CNR2ACHEPTGER4
SCHEMBL8415795 0.74 CNR1 (0.61) F2RL3CNR1CNR2ACHEKMT2A
SCHEMBL9917403 0.74 CNR2 (0.81) 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 3 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
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 F2RL3 4635/4885ELANE 3951/4885CNR1 4322/4885

“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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