SCHEMBL3411871

SCHEMBL3411871

CC(=NO)c1ccc(-c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.52
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
NR1H4 Q96RI1 4/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
PPARD Q03181 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTGS2 P35354 2/20 0.44

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
SCHEMBL3411868 1.00 BCL2 (0.52) BCL2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3418613 0.85 MAPT (0.59) BCL2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28032595 0.81 LMNA (0.63) BCL2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3418743 0.81 S1PR1 (0.62) ABCC4LMNAGAATSHRPTGS1
SCHEMBL3418738 0.81 S1PR1 (0.62) ABCC4LMNAGAATSHRPTGS1
Phenylacetic Acid SCHEMBL1357970 0.80 AKR1B1 (0.61) ABCC4LMNAGAATSHRPTGS1
Methyl Alcohol SCHEMBL7855784 0.80 ABCC4 (0.62) BCL2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9251496 0.80 ABCC4 (0.74) BCL2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL538397 0.79 ABCC4 (0.67) BCL2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3413361 0.79 NR1H4 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR BCL2 2676/4885GRIN2D 280/4885GRIN3B 448/4885

“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.