SCHEMBL3410602

SCHEMBL3410602

CCC(=Cc1cccc(-c2ccc(OC)c(CNC(=O)OC(C)(C)C)c2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
EPHX2 P34913 3/20 0.45
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 3/20 0.43
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HDAC1 Q13547 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL3410598 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13433348 0.91 EPHX2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3413605 0.86 PPARG (0.45) PPARGPPARAPPARDPDCD1CD274
SCHEMBL3413325 0.84 PDCD1 (0.45) PPARGPPARAPPARDPDCD1CD274
SCHEMBL3413329 0.84 PDCD1 (0.45) PPARGPPARAPPARDPDCD1CD274
SCHEMBL13433343 0.81 FDPS (0.47) PPARGPPARAPPARDPDCD1CD274
SCHEMBL3415307 0.81 PPARD (0.63) EPHX2PPARGPPARAPPARDHDAC1
SCHEMBL3416850 0.79 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3416847 0.79 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3416346 0.79 PPARG (0.53) PPARGPPARAPPARDHDAC1HTT

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 PSEN1 4452/4885PSEN2 4670/4885APH1B 2918/4885

“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.