SCHEMBL2889577

SCHEMBL2889577

COc1ccc([C@@H](CC(C)=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CRHBP P24387 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
CRHR2 Q13324 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CACNA2D1 P54289 2/20 0.58
CACNA1B Q00975 2/20 0.58
CACNB1 Q02641 2/20 0.58
CACNA1C Q13936 2/20 0.58
CACNA1G O43497 1/20 0.58
ACP3 P15309 1/20 0.57

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
SCHEMBL2889581 1.00 TDP1 (0.60) TDP1LMNAKMT2ANPSR1MEN1
SCHEMBL628797 0.94 LMNA (0.56) TDP1LMNAKMT2ANPSR1MEN1
SCHEMBL28489153 0.89 FFAR1 (0.61) TDP1LMNAKMT2ANPSR1MEN1
SCHEMBL109205 0.87 LMNA (0.53) TDP1LMNAKMT2AMEN1CYP2D6
SCHEMBL1429119 0.86 KMT2A (0.60) TDP1LMNAKMT2ANPSR1MEN1
SCHEMBL15199300 0.85 LMNA (0.56) TDP1LMNAKMT2ANPSR1MEN1
SCHEMBL30438111 0.85 LMNA (0.52) TDP1LMNAKMT2AMEN1CYP2D6
SCHEMBL29067280 0.85 LMNA (0.52) TDP1LMNAKMT2AMEN1CYP2D6
SCHEMBL6484578 0.83 FFAR1 (0.66) TDP1LMNAKMT2ANPSR1MEN1
SCHEMBL2397228 0.83 L3MBTL1 (0.69) TDP1LMNAKMT2ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND MSD K.K. (JP) 2010-05-13 US disclosed
EP-2042478-A1 METHOD FOR PRODUCING -DIARYL ELECTRON-WITHDRAWING GROUP SUBSTITUTED COMPOUND Japan Science and Technology Agency (JP) 2009-04-01 EP 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-20100121069-A1 METHOD FOR MANUFACTURING A BETA-DIARYL ELECTRON WITHDRAWING GROUP SUBSTITUTED COMPOUND BMP6, GPR6, ACSL6 TDP1 3153/4885LMNA 3282/4885KMT2A 3157/4885

“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.