SCHEMBL2335217

SCHEMBL2335217

[CH]=Cc1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
TBXA2R P21731 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
PTGDR Q13258 3/20 0.41
ALOX5 P09917 1/20 0.38
PTGER4 P35408 2/20 0.38
PTGFR P43088 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGIR P43119 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDH1 O75874 1/20 0.36
KEAP1 Q14145 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL28182492 0.83 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL872046 0.80 LMNA (0.52) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL31588310 0.80 LMNA (0.52) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL405627 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL2364784 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL163961 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL5214340 0.77 CALM1 (0.44) CALM1HTR2ABCL2BCL2L1TBXA2R
SCHEMBL6369251 0.76 MAOB (0.44) CALM1HTR2ABCL2BCL2L1MEN1
SCHEMBL972711 0.75 CALM1 (0.69) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL28667698 0.75 NFE2L2 (0.48) CALM1HTR2ABCL2BCL2L1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2103692-A1 Gene manipulation in the human PLK1 gene Universität Duisburg-Essen (DE) 2009-09-23 EP claimed
EP-1305015-B1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2013-06-12 EP disclosed
EP-2359819-A1 Substituted styryl benzylsulfones for treating proliferative disorders Temple University - Of The Commonwealth System of Higher Education (US) 2011-08-24 EP disclosed
US-6642410-B2 Useful as antiproliferative agents, including, for example, anticancer agents TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-04 US disclosed
EP-1305015-A4 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2003-05-21 EP disclosed
EP-1305015-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-05-02 EP disclosed
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents REDDY E PREMKUMAR (US) 2003-02-20 US disclosed
US-6486210-B2 SUCH AS ENANTIOMORPHS OF 4-FLUOROSTYRYL-2,3,4,5,6-PENTAFLUOROBENZYLSULFONE; ANTIPROLIFERATIVE/ANTICANCER AGENTS Temple University—Of the Commonwealth System of Higher Education 2002-11-26 US disclosed
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-08-22 US disclosed
WO-2001078712-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-10-25 WO 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-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents MKI67, MCL1, CCNA1 CALM1 2077/4885HTR2A 4715/4885BCL2 85/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS CALM1 2788/4885HTR2A 3585/4885BCL2 461/4885

“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.