SCHEMBL3944155

SCHEMBL3944155

COc1ccccc1C#Cc1ccc(OC(C)C)c(C(=O)NC(CO)Cc2c[nH]c3cnccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TACR1 P25103 6/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 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
SCHEMBL13911177 1.00 ROCK2 (0.38) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL3941491 0.94 ROCK2 (0.38) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL13911141 0.94 ROCK2 (0.38) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL4633717 0.91 HDAC3 (0.44) ITGB2ICAM1ITGALHDAC3HDAC1
SCHEMBL4632690 0.91 HDAC3 (0.44) ITGB2ICAM1ITGALHDAC3HDAC1
SCHEMBL3939139 0.88 ITGB2 (0.41) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL14069911 0.88 ITGB2 (0.40) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL4734663 0.88 ITGB2 (0.40) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL3943487 0.87 ROCK2 (0.38) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL14069746 0.87 ITGB2 (0.40) ROCK2ROCK1ITGB2ICAM1ITGAL

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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US claimed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 ROCK2 2280/4885ROCK1 2120/4885ITGB2 499/4885

“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.