SCHEMBL4029873

SCHEMBL4029873

COC(=O)CCCC#Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
EPHX2 P34913 1/20 0.45
HDAC3 O15379 8/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC2 Q92769 8/20 0.45
HDAC4 P56524 7/20 0.45
HDAC7 Q8WUI4 7/20 0.45
HDAC10 Q969S8 7/20 0.45
HDAC11 Q96DB2 7/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC6 Q9UBN7 7/20 0.45
HDAC9 Q9UKV0 7/20 0.45
HDAC5 Q9UQL6 7/20 0.45
TACR1 P25103 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.43
CTSL P07711 1/20 0.43
ECE1 P42892 1/20 0.42
ERAP2 Q6P179 1/20 0.41

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
SCHEMBL3935545 0.91 ERAP2 (0.45) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3940306 0.90 ALOX5 (0.45) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3941237 0.90 ALOX5 (0.47) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3944233 0.89 ALOX5 (0.46) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL13912827 0.88 ALOX5 (0.47) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3944205 0.88 CTSL (0.49) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3936476 0.88 ALOX5 (0.48) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3941158 0.88 ALOX5 (0.44) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3937830 0.87 ALOX5 (0.46) ALOX5EPHX2HDAC3HDAC1HDAC2
SCHEMBL3942280 0.86 ALOX5 (0.49) ALOX5EPHX2HDAC3HDAC1HDAC2

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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 ALOX5 870/4885EPHX2 3660/4885HDAC3 354/4885

“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.