SCHEMBL10690598

SCHEMBL10690598

O=C1CC(c2ccc(Cl)cc2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
THRB P10828 2/20 0.43
MAPT P10636 4/20 0.42
CTRC Q99895 1/20 0.41
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.39
ALOX12 P18054 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 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
SCHEMBL10017610 0.90 CTRC (0.47) MEN1KMT2ATHRBMAPTCTRC
SCHEMBL9541605 0.81 CTRB1 (0.44) MEN1KMT2AESR1ESR2THRB
SCHEMBL11220105 0.81 MEN1 (0.52) MEN1KMT2AESR1ESR2THRB
SCHEMBL31121830 0.81 CTRC (0.49) MEN1KMT2ATHRBMAPTCTRC
SCHEMBL12172558 0.81 CTRB1 (0.44) MEN1KMT2ATHRBMAPTCTRC
SCHEMBL3246904 0.81 ALDH1A1 (0.55) MEN1KMT2ATHRBMAPTALDH1A1
SCHEMBL13698273 0.80 THRB (0.43) MEN1KMT2ATHRBMAPT
SCHEMBL8274960 0.80 CTRC (0.61) KMT2AMAPTCTRCALDH1A1TP53
SCHEMBL576832 0.80 CTRC (0.61) KMT2AMAPTCTRCALDH1A1TP53
SCHEMBL2608115 0.79 PLAU (0.41) MEN1KMT2ATHRBMAPTCTRC

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-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-4731457-A 1-substituted, 2,3-diphenyl-3-hydroxymethyl pyrrolidines, where the 2- and/or 3-phenyl can be substituted THE PURDUE FREDERICK COMPANY (US) 1988-03-15 US disclosed
US-4639529-A Analgesic and anti-inflammatory compounds THE PURDUE FREDERICK COMPANY (US) 1987-01-27 US disclosed
US-4476311-A Analgesic 4-carboxy-pyrrolidin-2-one compound THE PURDUE FREDERICK COMPANY (US) 1984-10-09 US disclosed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 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-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 MEN1 85/4885KMT2A 4178/4885ESR1 4527/4885

“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.