SCHEMBL10054017

SCHEMBL10054017

CC(=O)Oc1cc(C)cc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
NQO1 P15559 1/20 0.43
ESR1 P03372 1/20 0.43
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
GAPDH P04406 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP19A1 P11511 1/20 0.37
NQO2 P16083 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
SCHEMBL10025891 0.79 CYP3A4 (0.58) ESR1CYP3A4LMNAALDH1A1MEN1
SCHEMBL14754177 0.75 KDM4E (0.47) NQO1ESR1INSRIGF1RCYP3A4
SCHEMBL8084872 0.73 NQO1 (0.40) NQO1ESR1INSRIGF1RCYP3A4
SCHEMBL29226554 0.72 NQO1 (0.48) NQO1INSRIGF1RCYP3A4LMNA
SCHEMBL10687082 0.72 NQO1 (0.58) NQO1INSRIGF1RKDM4ELMNA
SCHEMBL16502842 0.72 TARBP2 (0.48) KDM4EALDH1A1MAPTTSHRATM
SCHEMBL13021618 0.72 ELANE (0.50) ELANEESR1KDM4ELMNAALDH1A1
SCHEMBL20125102 0.71 PARP1 (0.38) KDM4ELMNAALDH1A1MAPTATM
SCHEMBL27673460 0.71 INSR (0.49) NQO1INSRIGF1RCYP3A4KDM4E
SCHEMBL14363137 0.71 SELL (0.41) CYP3A4ALDH1A1ATMCYP19A1NQO2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US 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-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB ELANE 584/4885NQO1 1054/4885ESR1 1774/4885

“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.