SCHEMBL4583665

SCHEMBL4583665

COC(=O)c1ccc(Br)cc1NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.55
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.46
OPRK1 P41145 9/20 0.46
HDAC8 Q9BY41 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
RIPK1 Q13546 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31535175 0.96 YAP1 (0.50) YAP1KDM4EALDH1A1ALOX15OPRK1
SCHEMBL15566591 0.93 ABCG2 (0.47) YAP1KDM4EALDH1A1OPRK1ABCG2
SCHEMBL22097620 0.84 ALDH1A1 (0.60) YAP1KDM4EALDH1A1ALOX15HDAC8
SCHEMBL4584443 0.84 CA1 (0.50) KDM4EALDH1A1OPRK1HDAC8HPGD
SCHEMBL22097638 0.83 ALDH1A1 (0.62) YAP1KDM4EALDH1A1ALOX15HPGD
SCHEMBL13276681 0.82 YAP1 (0.54) YAP1KDM4EOPRK1HDAC8KMT2A
SCHEMBL28525633 0.82 YAP1 (0.51) YAP1KDM4EOPRK1
SCHEMBL8833932 0.82 YAP1 (0.62) YAP1KDM4EALDH1A1ALOX15OPRK1
SCHEMBL13276979 0.81 YAP1 (0.52) YAP1KDM4EALDH1A1OPRK1HDAC8
SCHEMBL19335455 0.80 KDM4E (0.70) YAP1KDM4EALDH1A1ALOX15RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100582088-C Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-01-20 CN disclosed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
CN-1906154-A Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2007-01-31 CN disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 YAP1 2045/4885KDM4E 1697/4885ALDH1A1 1621/4885

“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.