SCHEMBL692623

SCHEMBL692623

[O]c1ccc(Cl)cc1C=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.59
TDP1 Q9NUW8 2/20 0.58
XDH P47989 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
S100A4 P26447 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
SCHEMBL4357334 0.80 TDP1 (0.70) ERN1TDP1XDHHSD17B10PTPN1
Water SCHEMBL28578537 0.78 TDP1 (0.67) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL42560 0.78 TDP1 (0.67) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL42333 0.76 ERN1 (0.59) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL29958016 0.76 ERN1 (0.59) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL6094666 0.74 ERN1 (0.57) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL380473 0.74 ERN1 (0.57) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL20798260 0.74 ERN1 (0.57) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL275397 0.74 ERN1 (0.57) ERN1TDP1XDHHSD17B10PTPN1
SCHEMBL247839 0.74 ERN1 (1.00) ERN1TDP1HSD17B10MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
EP-2421866-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121995-A1 3,3'-SPIROINDOLINONE DERIVATIVES AND THEIR USE FOR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 ERN1 2880/4885TDP1 3796/4885XDH 1365/4885

“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.