SCHEMBL1593722

SCHEMBL1593722

C=CCc1c(C(C)=O)ccc(C(N)=O)c1CC=C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
SRD5A1 P18405 2/20 0.35
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
PARP1 P09874 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL14058648 0.91 KDM4E (0.42) KDM4ESRD5A1HSD17B10ALDH1A1MEN1
SCHEMBL8754981 0.79 KDM4E (0.47) KDM4EHSD17B10ALDH1A1MAPTCYP3A4
SCHEMBL28284553 0.79 KDM4E (0.36) KDM4ESRD5A1HSD17B10ALDH1A1MAPT
SCHEMBL8852216 0.76 KDM4E (0.36) KDM4EMAPTMAPK1PARP1
SCHEMBL9303754 0.74 ALDH1A1 (0.48) KDM4ESRD5A1ALDH1A1MEN1KMT2A
SCHEMBL31657717 0.74 ALDH1A1 (0.48) KDM4ESRD5A1ALDH1A1MEN1KMT2A
SCHEMBL8957163 0.74 SRD5A1 (0.43) KDM4ESRD5A1HSD17B10ALDH1A1MEN1
SCHEMBL9419211 0.74 ALDH1A1 (0.45) KDM4EHSD17B10ALDH1A1MAPTCYP3A4
SCHEMBL17694444 0.74 THRB (0.42) KDM4ESRD5A1HSD17B10ALDH1A1MEN1
SCHEMBL9614734 0.74 KDM4E (0.43) KDM4EHSD17B10ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465850-B1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2016-11-23 EP disclosed
US-8791137-B2 Therapeutic compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2014-07-29 US disclosed
EP-1989185-B1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS INC (US) 2013-05-22 EP disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 US disclosed
EP-2465850-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2012-06-20 EP disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 US disclosed
US-7919626-B2 Pyrazole compounds and uses thereof HELICON THERAPEUTICS, INC. (US) 2011-04-05 US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 US disclosed
EP-1989185-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2008-11-12 EP disclosed
WO-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 WO disclosed
US-20070203154-A1 Therapeutic Compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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 (3 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-20100317648-A1 THERAPEUTIC COMPOUNDS MAOB, MAOA, HTR1B KDM4E 731/4885SRD5A1 691/4885HSD17B10 424/4885
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B KDM4E 844/4885SRD5A1 812/4885HSD17B10 1001/4885
US-20070203154-A1 Therapeutic Compounds MAOB, MAOA, HTR1B KDM4E 731/4885SRD5A1 691/4885HSD17B10 424/4885

“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.