SCHEMBL3418641

SCHEMBL3418641

COC(=O)c1cccc(-c2ccc(OC)c(CNC(=O)CC(C)(C)C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
SCN9A Q15858 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL13433259 0.86 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL4718383 0.82 SCN9A (0.47) ALDH1A1HPGDKDM4ELMNAMEN1
SCHEMBL3416551 0.80 HDAC1 (0.50) KDM4ESMN1; SMN2PPARGPPARDPPARA
SCHEMBL3415714 0.80 HDAC1 (0.41) KDM4EMEN1KMT2ASMN1; SMN2PPARG
SCHEMBL4722006 0.77 MAPK1 (0.57) ALDH1A1HPGDKDM4EMEN1HTT
SCHEMBL4720507 0.75 MAPT (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4720556 0.72 HSD17B14 (0.45) SCN9AMAPT
SCHEMBL4718395 0.70 SMPD1 (0.52) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4718251 0.70 SCN9A (0.44) SCN9AMAPT
SCHEMBL3418978 0.70 HPGD (0.46) ALDH1A1HPGDKDM4ELMNAMEN1

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 ALDH1A1 1626/4885HPGD 2617/4885KDM4E 3724/4885

“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.