SCHEMBL12215333

SCHEMBL12215333

COc1ccc(C(=O)O)c2[nH]cc(C(=O)C(C)=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL12215330 0.89 CYP3A4 (0.41) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL12215340 0.84 GAA (0.43) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL12215320 0.83 CYP3A4 (0.41) KDM4EALDH1A1HPGDMAPTCYP3A4
SCHEMBL13555236 0.83 CYP3A4 (0.41) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL12215338 0.83 CLEC4M (0.47) KDM4EMAPTTDP1CYP3A4CDC25B
SCHEMBL12215433 0.80 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTCYP3A4
SCHEMBL13325432 0.79 ADRA2A (0.44) KDM4EALDH1A1HPGDPRKAB2PRKAG1
SCHEMBL12215353 0.78 CNR2 (0.41) KDM4EALDH1A1HPGDMAPTCYP3A4
SCHEMBL12215329 0.78 CYP2C9 (0.38) KDM4EALDH1A1HPGDMAPTCYP3A4
SCHEMBL12215445 0.77 CYP2C9 (0.46) KDM4EALDH1A1HPGDCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 — — 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-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT KDM4E 709/4885ALDH1A1 2529/4885HPGD 524/4885

“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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