SCHEMBL3580028

SCHEMBL3580028

CC(=O)N(CCC(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
EPHX2 P34913 4/20 0.40
ALOX5 P09917 1/20 0.39
OPRK1 P41145 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CNR2 P34972 2/20 0.35
EPHX1 P07099 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11801976 0.79 KDM4E (0.46) KDM4EHTTEPHX2ALOX5OPRK1
Hydrochloric Acid SCHEMBL27551926 0.77 SMN1; SMN2 (0.49) HTTMAPTSMN1; SMN2ALDH1A1GRIN2D
SCHEMBL11803547 0.72 EPHX2 (0.43) KDM4EHTTEPHX2ALOX5OPRK1
SCHEMBL15996424 0.70 EPHX2 (0.38) KDM4EHTTEPHX2ALOX5SMN1; SMN2
SCHEMBL6937606 0.68 GRIN2D (0.43) KDM4EHTTSMN1; SMN2ALDH1A1GRIN2D
SCHEMBL20841986 0.67 GRIN2D (0.52) EPHX2SMN1; SMN2ALDH1A1GRIN2DGRIN3B
SCHEMBL11153629 0.66 GRIN2D (0.44) EPHX2MAPTALDH1A1GRIN2DGRIN3B
SCHEMBL14341887 0.66 KDM4E (0.56) KDM4EHTTEPHX2ALOX5ALDH1A1
SCHEMBL17337978 0.66 GRIN2D (0.39) KDM4EHTTEPHX2ALOX5ALDH1A1
SCHEMBL11008002 0.66 OPRK1 (0.47) KDM4EOPRK1MAPTSMN1; SMN2ALDH1A1

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-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 US disclosed
US-20080161270-A1 Angiogenesis inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 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 (2 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-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 KDM4E 1375/4885HTT 4594/4885EPHX2 2354/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 KDM4E 1368/4885HTT 4617/4885EPHX2 2296/4885

“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.