SCHEMBL2834582

SCHEMBL2834582

CC(C)c1ccc(/C=C/CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.49
TYR P14679 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.46
NFE2L2 Q16236 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42

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
SCHEMBL2834584 1.00 KDM4E (0.53) KDM4EMAPK1PTGS1PTGS2GRIK1
SCHEMBL27343740 0.85 KDM4E (0.47) KDM4EMAPK1PTGS1PTGS2GRIK1
SCHEMBL9276381 0.82 ALDH1A1 (0.62) KDM4EPTGS1PTGS2SMN1; SMN2NPC1
SCHEMBL9276383 0.82 ALDH1A1 (0.62) KDM4EPTGS1PTGS2SMN1; SMN2NPC1
SCHEMBL13679671 0.81 ALDH1A1 (0.48) KDM4EMAPK1PTGS1PTGS2GRIK1
SCHEMBL19579043 0.80 KDM4E (0.46) KDM4EMAPK1PTGS1PTGS2GRIK1
SCHEMBL23918549 0.79 TYR (0.64) KDM4EMAPK1PTGS1PTGS2SMN1; SMN2
SCHEMBL30075786 0.79 TYR (0.64) KDM4EMAPK1PTGS1PTGS2SMN1; SMN2
SCHEMBL3595592 0.79 KDM4E (0.48) KDM4EMAPK1PTGS1PTGS2GRIK1
SCHEMBL2098164 0.79 TYR (0.54) KDM4EMAPK1PTGS1PTGS2GRIK1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485701-B2 Insect repellent compounds and compositions, and methods thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-11-01 US disclosed
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-02-14 US disclosed
WO-2017192991-A1 SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATORS (SERDS) XAVIER UNIVERSITY OF LOUISIANA (US) 2017-11-09 WO disclosed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20110086972-A1 OPTICAL FILMS COMPRISING PHENYL ETHYLENE (METH)ACRYLATE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-04-14 US disclosed
US-20110086972-A1 OPTICAL FILMS COMPRISING PHENYL ETHYLENE (METH)ACRYLATE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-04-14 US disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 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 (6 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-11485701-B2 Insect repellent compounds and compositions, and methods thereof C5, CYP51A1, DDT KDM4E 460/4885MAPK1 2411/4885PTGS1 632/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 KDM4E 2442/4885MAPK1 1997/4885PTGS1 882/4885
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT KDM4E 460/4885MAPK1 2411/4885PTGS1 632/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 KDM4E 737/4885MAPK1 1115/4885PTGS1 658/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 KDM4E 554/4885MAPK1 874/4885PTGS1 931/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 KDM4E 2275/4885MAPK1 1390/4885PTGS1 894/4885

“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.