SCHEMBL218139

SCHEMBL218139

CC(=O)OCCc1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.48
TAAR1 Q96RJ0 3/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GPR52 Q9Y2T5 1/20 0.43
TSHR P16473 1/20 0.42
IDO1 P14902 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
TYR P14679 1/20 0.40
RIPK1 Q13546 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
SCHEMBL6632237 0.90 RAD52 (0.46) RAD52TAAR1MAPTRAB9APOLB
SCHEMBL1240162 0.82 RAD52 (0.44) RAD52ALDH1A1TSHRTYR
SCHEMBL2548713 0.82 TAAR1 (0.50) TAAR1MAPTRAB9APOLBPKM
SCHEMBL777869 0.81 MAPT (0.57) MAPTRAB9APOLBPKMKMT2A
SCHEMBL31554190 0.81 MAPT (0.57) MAPTRAB9APOLBPKMKMT2A
SCHEMBL8655277 0.80 ALOX5 (0.49) RAD52TAAR1ALDH1A1SIRT2TYR
SCHEMBL29122249 0.80 TYR (0.59) RAD52TAAR1RAB9APKMALDH1A1
SCHEMBL30714282 0.80 RAD52 (0.53) RAD52RAB9APKMKMT2AALDH1A1
SCHEMBL30413374 0.79 ALDH1A1 (0.49) ALDH1A1FFAR1FFAR4
SCHEMBL16702820 0.79 TAAR1 (0.46) RAD52TAAR1ALDH1A1TSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 US disclosed
WO-2002022584-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-03-21 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-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE TPP1, NAT1, PGC RAD52 4741/4885TAAR1 3696/4885MAPT 580/4885

“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.