SCHEMBL3939262

SCHEMBL3939262

CC(C)Oc1ccc(I)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ECE1 P42892 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
APAF1 O14727 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGB2 P05107 5/20 0.44
ICAM1 P05362 5/20 0.44
ITGAL P20701 5/20 0.44
TACR1 P25103 1/20 0.44
HPGD P15428 1/20 0.43
KCNA5 P22460 1/20 0.42
ACE P12821 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42

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
SCHEMBL4169038 0.96 ITGB2 (0.45) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL3944251 0.89 CTSL (0.45) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL13962594 0.89 KMT2A (0.46) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL5172047 0.87 CCKBR (0.44) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL4599804 0.87 CCKBR (0.44) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL13962653 0.87 CDK4 (0.46) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL13961579 0.87 KMT2A (0.45) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL4666633 0.86 ECE1 (0.45) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL4633751 0.86 ECE1 (0.45) MEN1KMT2AECE1KDM4EALDH1A1
SCHEMBL14078719 0.86 HPGDS (0.47) MEN1KMT2AECE1KDM4EALDH1A1

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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO 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 MEN1 274/4885KMT2A 782/4885ECE1 1561/4885

“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.