SCHEMBL4135418

SCHEMBL4135418

CSc1ccc(CCl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.37
SLC6A4 P31645 2/20 0.35
IDO1 P14902 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PNMT P11086 2/20 0.33
CYP3A4 P08684 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CCR2 P41597 2/20 0.31
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL7786392 0.83 TTR (0.33) TTRSLC6A4ALDH1A1TSHR
SCHEMBL6198392 0.82 RECQL (0.38) TTRSLC6A4IDO1ALDH1A1SLC6A2
SCHEMBL11868272 0.79 CYP3A4 (0.39) TTRSLC6A4ALDH1A1CYP3A4TSHR
SCHEMBL4128552 0.77 ENPP2 (0.35) SLC6A4IDO1MEN1KMT2AALDH1A1
SCHEMBL1552039 0.77 PNMT (0.38) SLC6A4PNMTCYP3A4SLC6A2SLC6A3
SCHEMBL1552037 0.77 PNMT (0.38) SLC6A4PNMTCYP3A4SLC6A2SLC6A3
SCHEMBL2162178 0.76 CA2 (0.59) MEN1KMT2AALDH1A1TSHR
SCHEMBL14355057 0.76 CA2 (0.42) MEN1KMT2ATSHR
SCHEMBL13687739 0.76 CYP3A4 (0.44) SLC6A4PNMTCYP3A4TAAR1SLC6A2
SCHEMBL28803630 0.75 TTR (0.32) TTRKMT2A

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-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-04-02 US disclosed
CN-101389602-A Process for preparing 3, 4-disubstituted phenylacetic acids and novel intermediates DSM FINE CHEM AUSTRIA GMBH (AT) 2009-03-18 CN disclosed
EP-1986995-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2008-11-05 EP disclosed
WO-2007096034-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-08-30 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-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES PAH, CTRC, DDC TTR 1905/4885SLC6A4 266/4885IDO1 878/4885

“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.