SCHEMBL4337847

SCHEMBL4337847

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 3/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL4335151 0.91 ALOX15 (0.42) ALDH1A1TSHRSMN1; SMN2ALOX15CYP4F2
SCHEMBL4336878 0.91 CYP2D6 (0.46) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL6723571 0.82 KDM4E (0.46) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL6723575 0.82 KDM4E (0.46) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL4338102 0.82 NPC1 (0.48) CYP2D6CYP2C19KDM4EALDH1A1TSHR
SCHEMBL4333135 0.81 CYP4F2 (0.53) SMN1; SMN2CYP4F2CYP4A11PPARGPPARA
SCHEMBL4329462 0.81 ALOX15 (0.44) ALDH1A1TSHRSMN1; SMN2ALOX15PPARG
SCHEMBL6495805 0.81 PKM (0.44) KDM4EALDH1A1TSHRALOX15PPARD
SCHEMBL4328026 0.80 CYP2D6 (0.47) CYP2D6CYP2C19KDM4EPPARGPPARD
SCHEMBL4335122 0.80 ALDH1A1 (0.37) CYP2D6CYP2C19ALDH1A1TSHRSMN1; SMN2

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.