SCHEMBL3413467

SCHEMBL3413467

COC(=O)C(C)c1cccc(-c2ccc(OC)c(CN)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRK1 P41145 1/20 0.39
KIFC1 Q9BW19 1/20 0.38
F10 P00742 3/20 0.38
PRSS1 P07477 2/20 0.38
FFAR1 O14842 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 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
SCHEMBL3419255 0.80 TRPV1 (0.48) PTGS2PTGS1PPARGPPARDPPARA
SCHEMBL5033496 0.79 PTGS2 (0.66) PTGS2PTGS1PSEN1PSEN2APH1B
SCHEMBL5039701 0.76 PTGS1 (0.66) PTGS2PTGS1PSEN1PSEN2APH1B
SCHEMBL3410592 0.75 CFD (0.50) PPARGPPARDPPARA
SCHEMBL2261293 0.74 KDM4E (0.55) KMT2ADHFR
SCHEMBL6270908 0.72 HDAC4 (0.51) PTGS2PTGS1PSEN1PSEN2APH1B
SCHEMBL3416314 0.71 PPARA (0.49) PTGS2PPARGPPARDPPARAKIFC1
SCHEMBL14420098 0.71 MT-CO2 (0.43) PTGS2PTGS1PSEN1PSEN2APH1B
SCHEMBL5022505 0.71 CYP2C19 (0.54) PTGS2PTGS1KMT2A
SCHEMBL31409467 0.71 CYP2C19 (0.54) PTGS2PTGS1KMT2A

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 5 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-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-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 PTGS2 3150/4885PTGS1 1692/4885PPARG 238/4885

“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.