SCHEMBL4336878

SCHEMBL4336878

CCOC(=O)C(Cc1ccc(OCC)c(CO)c1)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 4/20 0.39
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
CREBBP Q92793 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL6723571 0.92 KDM4E (0.46) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL6723575 0.92 KDM4E (0.46) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL4337847 0.91 CYP2D6 (0.45) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL4329462 0.90 ALOX15 (0.44) ALDH1A1TSHRSMN1; SMN2ALOX15PPARG
SCHEMBL4328026 0.89 CYP2D6 (0.47) CYP2D6CYP2C19KDM4EPPARGPPARD
SCHEMBL4335122 0.86 ALDH1A1 (0.37) CYP2D6CYP2C19ALDH1A1TSHRSMN1; SMN2
SCHEMBL4338102 0.84 NPC1 (0.48) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL4335151 0.81 ALOX15 (0.42) ALDH1A1TSHRSMN1; SMN2ALOX15PPARG
SCHEMBL6503438 0.81 PPARG (0.44) CYP2D6CYP2C19KDM4EPPARGPPARD
SCHEMBL6506184 0.81 ALOX15 (0.46) ALDH1A1TSHRSMN1; SMN2ALOX15PPARG

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 CYP2D6 331/4885CYP2C19 2209/4885KDM4E 3094/4885

“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.