SCHEMBL3416645

SCHEMBL3416645

CC(C)Oc1ccc(C(=O)NCc2cccc(-c3cccc(CC(=O)O)c3)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM3 P20309 1/20 0.44
LIPG Q9Y5X9 1/20 0.43
KCNB1 Q14721 1/20 0.43
PTGIR P43119 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
APEX1 P27695 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL13433435 0.88 PPARA (0.48) THRBALDH1A1PPARGPPARDPPARA
SCHEMBL3413951 0.86 PTPN11 (0.51) THRATHRBALDH1A1RAB9ANPC1
SCHEMBL13433449 0.85 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL3413883 0.84 ALDH1A1 (0.41) THRATHRBALDH1A1RAB9ANPC1
SCHEMBL3417224 0.83 SHMT1 (0.53) THRBALDH1A1RAB9ANPC1MEN1
SCHEMBL13433443 0.77 PTPN11 (0.49) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL3415535 0.75 PPARD (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13433434 0.75 PPARA (0.47) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL3415588 0.75 HPGD (0.48) MEN1KMT2ACHRM3LIPGPPARG
SCHEMBL3415365 0.75 KMT2A (0.51) ALDH1A1RAB9ANPC1MEN1KMT2A

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 THRA 211/4885THRB 283/4885ALDH1A1 1626/4885

“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.