SCHEMBL1728181

SCHEMBL1728181

C(=C/c1c[nH]c2cccc(OCc3ccccc3)c12)\c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.53
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
LCK P06239 1/20 0.44
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAP3K7 O43318 2/20 0.40
TAB1 Q15750 2/20 0.40
SRD5A2 P31213 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL1728184 1.00 HTR2A (0.53) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL2890063 0.85 PTGER4 (0.62) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL2890060 0.85 PTGER4 (0.62) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL1419107 0.84 HTR2A (0.55) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL29954497 0.84 HTR2A (0.55) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL29073263 0.82 TLR4 (0.49) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL11073472 0.81 HTR2A (0.52) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL11073474 0.81 HTR2A (0.52) HTR2APTGER1PTGER4PTGER3PTGER2
SCHEMBL28374945 0.80 HTR2A (0.63) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL16589530 0.80 MAP3K7 (0.62) HTR2APTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 HTR2A 934/4885PTGER1 1860/4885PTGER4 2671/4885

“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.