SCHEMBL7181909

SCHEMBL7181909

OCc1ccc(-c2cccc(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
PRKCI P41743 1/20 0.47
KIF11 P52732 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
TDP2 O95551 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
CYP3A4 P08684 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL630230 0.86 PRKCI (0.58) PRKCITAAR1ACMSDCHRNB4CHRNA3
SCHEMBL12715025 0.84 PRKCI (0.56) PRKCITAAR1ACMSDCHRNB4CHRNA3
SCHEMBL13682551 0.82 ALDH1A1 (0.52) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL16578698 0.81 PRKCI (0.68) MKNK1MKNK2PRKCIKIF11MEN1
SCHEMBL6689378 0.80 CYP17A1 (0.51) MKNK1MKNK2PRKCIKIF11MEN1
SCHEMBL11066208 0.80 TAAR1 (0.44) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL27900190 0.80 NPC1 (0.41) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL12514877 0.80 BCL2 (0.46) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL26301211 0.80 ALDH1A1 (0.50) MEN1KMT2ANPC1ALDH1A1CYP1A2
SCHEMBL3865773 0.78 ALDH1A1 (0.48) MKNK1MKNK2KIF11PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676720-B2 Substituted biaryl compound UBE INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2016-03-03 US disclosed
EP-2980075-A1 SUBSTITUTED BIARYL COMPOUND UBE Industries, Ltd. (JP) 2016-02-03 EP disclosed
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed
US-5192758-A Antibiotics MERCK & CO., INC. (US) 1993-03-09 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 (2 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-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 MKNK1 2761/4885MKNK2 2152/4885PRKCI 2634/4885
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO MKNK1 2007/4885MKNK2 1606/4885PRKCI 1597/4885

“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.