SCHEMBL12077014

SCHEMBL12077014

O=C(O)C(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 7/20 0.54
▸ CNR1 P21554 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ GUCY1B2 O75343 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ CHRM1 P11229 1/20 0.45

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 0.91 CNR1 (0.60) PTGER4CNR1ACHECNR2CYP1A2
SCHEMBL12077100 0.89 CNR1 (0.52) PTGER4CNR1ACHECNR2CYP1A2
SCHEMBL12077272 0.88 KMT2A (0.51) PTGER4CNR1ACHECNR2CYP1A2
SCHEMBL9186085 0.83 CNR1 (0.58) PTGER4CNR1ACHECNR2CYP1A2
SCHEMBL11316855 0.80 PTGER4 (0.71) PTGER4CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL9186092 0.80 PTGER4 (0.56) PTGER4CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL12077280 0.76 F2RL3 (0.49) PTGER4CNR1ACHECNR2CYP1A2
SCHEMBL2739310 0.74 CNR2 (0.65) PTGER4CNR1ACHECNR2CYP1A2
SCHEMBL28757989 0.73 CNR1 (0.63) PTGER4CNR1ACHECNR2CYP1A2
SCHEMBL14288003 0.73 PTGER4 (0.53) PTGER4CNR1ACHECNR2CYP1A2

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 PTGER4 4711/4885CNR1 4322/4885ACHE 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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