SCHEMBL4023550

SCHEMBL4023550

COC(=O)c1conc1-c1ccc(CCl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.39
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.36
HTT P42858 1/20 0.36
PTPRC P08575 2/20 0.35
CDC25A P30304 2/20 0.35
CDC25B P30305 2/20 0.35
PPP1CC P36873 2/20 0.35
PTPRF P10586 1/20 0.35
CDC25C P30307 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL4025274 0.89 PTPN1 (0.38) PTPN1RAB9ALMNAALDH1A1MAPT
SCHEMBL27946184 0.84 SLC6A3 (0.51) PTPN1RAB9ALMNAALDH1A1MAPT
SCHEMBL4025736 0.82 PTPN1 (0.37) PTPN1RAB9APTPRCCDC25ACDC25B
SCHEMBL4022319 0.82 ALDH1A1 (0.52) RAB9ALMNAALDH1A1MAPTKDM4E
SCHEMBL4024687 0.81 SLC6A4 (0.39) PTPN1RAB9ALMNAALDH1A1MAPT
SCHEMBL6771957 0.81 LMNA (0.55) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL2929763 0.81 PTGS1 (0.54) LMNAALDH1A1MAPTKDM4EHPGD
SCHEMBL4026354 0.77 CA12 (0.49) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL8163709 0.76 TSHR (0.44) RAB9ALMNAALDH1A1MAPTKDM4E
SCHEMBL9118967 0.75 L3MBTL1 (0.47) LMNAALDH1A1MAPTKDM4EHTT

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-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 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 (3 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 PTPN1 264/4885RAB9A 2139/4885LMNA 1664/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 PTPN1 264/4885RAB9A 2139/4885LMNA 1664/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 PTPN1 264/4885RAB9A 2139/4885LMNA 1664/4885

“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.