SCHEMBL809019

SCHEMBL809019

CC1(CC(=O)O)CCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
KDM1A O60341 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
NR3C1 P04150 5/20 0.43
HDAC9 Q9UKV0 1/20 0.42
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3706515 0.90 DGAT1 (0.45) KDM5AKDM4CKDM5BHDAC9TP53
SCHEMBL6683861 0.88 KDM5A (0.50) KDM5AKDM4CKDM5BKDM1AMEN1
SCHEMBL9665166 0.86 KDM5A (0.51) KDM5AKDM4CKDM5BKDM1AMEN1
SCHEMBL3427486 0.82 ALDH1A1 (0.45) CYP3A4SIGMAR1
SCHEMBL12809127 0.81 KDM5A (0.45) KDM5AKDM4CKDM5BKDM1AMEN1
SCHEMBL6684521 0.81 KDM5A (0.47) KDM5AKDM4CKDM5BKDM1AMEN1
SCHEMBL20136561 0.80 KDM1A (0.51) KDM5AKDM4CKDM5BKDM1AMEN1
SCHEMBL15673547 0.79 NR3C1 (0.44) KDM5AKDM4CKDM5BKDM1AMEN1
SCHEMBL5549325 0.79 KDM1A (0.50) KDM5AKDM4CKDM5BKDM1AMEN1
SCHEMBL3431949 0.79 POLA1 (0.49) KDM1ACYP3A4TSHRCYP2C19SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-8962526-B2 Herbicidal composition and method of use thereof SYNGENTA PARTICIPATIONS AG (CH) 2015-02-24 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 WO disclosed
EP-1776119-B9 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
US-20120088669-A1 HERBICIDAL COMPOSITION AND METHOD OF USE THEREOF SYNGENTA LIMITED (GB) 2012-04-12 US disclosed
EP-1776119-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-01-18 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 KDM5A 4053/4885KDM4C 4444/4885KDM5B 4112/4885
US-20120088669-A1 HERBICIDAL COMPOSITION AND METHOD OF USE THEREOF HPD, TRHDE, DDT KDM5A 1020/4885KDM4C 282/4885KDM5B 985/4885

“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.