SCHEMBL262332

SCHEMBL262332

C=CCOc1c(C)cc(Br)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.38
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13964533 0.91 LMNA (0.43) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL472102 0.83 PTGS1 (0.38) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8161008 0.83 POLB (0.39) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8555930 0.83 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL12299699 0.80 PTGS1 (0.36) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13683282 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL14394607 0.80 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29034429 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL5086988 0.79 MAPT (0.47) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL42433 0.79 LMNA (0.45) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522645-B Phenyl derivatives and their use as immunomodulators ACTELION PHARMACEUTICALS LTD 2013-01-09 CN disclosed
CN-101528726-B Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-14 CN disclosed
EP-2069322-B1 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
EP-2069318-B1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-8133910-B2 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
US-8044076-B2 Phenyl derivatives and their use as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-25 US disclosed
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
US-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-25 US disclosed
CN-101528726-A Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2009-09-09 CN disclosed
CN-101522645-A Phenyl derivatives and their use as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
EP-2069322-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
EP-2069318-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
US-7479531-B2 Copolymer of ethylene and/or propylene; and octen-1-ol,7-octen-1-ol trimethylsilyl ether, octenyl acetate, 5-norbornen-2-yl acetate, 5-norbornen-2-ol and/or 5-norbornen-2-ol trimethylsilyl ether; transition metal catalyst comprising 2-arylazo- or 2-arylphosphazo- phenoxide ligand EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 US disclosed
WO-2008035239-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-27 WO disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 US disclosed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 US disclosed
EP-1626976-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2007-10-17 EP disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 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 (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-20100048648-A1 Thiophene derivatives as S1P1/EDGE1 receptor agonists S1PR1, S1PR3, S1PR2 MEN1 1296/4885KMT2A 3320/4885ALDH1A1 2911/4885
US-20100087495-A1 PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS IL2, CD47, CD74 MEN1 4441/4885KMT2A 2793/4885ALDH1A1 243/4885

“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.