SCHEMBL1195145

SCHEMBL1195145

[C](=Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
CALM1 P0DP23 1/20 0.38
G6PC1 P35575 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TSHR P16473 4/20 0.35
TRPA1 O75762 2/20 0.35
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CYP2A6 P11509 1/20 0.35
LMNA P02545 2/20 0.34
ALOX5 P09917 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL9853133 1.00 MAOB (0.40) MAOBCALM1G6PC1CYP3A4CYP2C9
SCHEMBL7380364 0.81 CYP11B2 (0.47) G6PC1CYP3A4CYP2C9LMNAMAPK1
SCHEMBL8673921 0.77 ALDH1A1 (0.41) MAOBALDH1A1TRPA1LOXL2CYP2A6
SCHEMBL4340782 0.77 MAOB (0.36) MAOBCALM1G6PC1CYP3A4CYP2C9
SCHEMBL5573317 0.77 MAOB (0.43) MAOBCALM1CYP3A4ALDH1A1TSHR
SCHEMBL6608385 0.73 TSHR (0.42) MAOBCALM1CYP3A4ALDH1A1TSHR
SCHEMBL1509680 0.73 MAOB (0.42) MAOBALDH1A1TSHRTRPA1TP53
SCHEMBL3808266 0.73 MAOB (0.42) MAOBCYP3A4CYP2C9ALDH1A1TSHR
SCHEMBL8863221 0.73 MAOB (0.42) MAOBCYP2C9ALDH1A1TSHRTRPA1
SCHEMBL5083636 0.73 MAOB (0.42) MAOBALDH1A1TSHRTRPA1TP53

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 54 patents — showing the first 20. 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
CN-113603883-B Modified polyphenyl ether, preparation method and application in high-frequency circuit board 珠海宏昌电子材料有限公司 2023-01-10 CN disclosed
CN-113603883-A Modified polyphenyl ether, preparation method and application in high-frequency circuit board 珠海宏昌电子材料有限公司 2021-11-05 CN disclosed
US-20210107942-A1 TISSUE PROTECTIVE PEPTIDES AND PEPTIDE ANALOGS FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS INC (US) 2021-04-15 US disclosed
US-9713597-B2 Stable aqueous formulation of (E)-4-carboxystyryl-4-chlorobenzyl sulfone ONCONOVA THERAPEUTICS, INC. (US) 2017-07-25 US disclosed
US-20150265549-A1 STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE ONCONOVA THERAPEUTICS, INC (US) 2015-09-24 US disclosed
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS, INC (US) 2015-08-27 US disclosed
US-9060967-B2 Stable aqueous formulation of (E)-4-carboxystyryl-4-chlorobenzyl sulfone ONCONOVA THERAPEUTICS, INC (US) 2015-06-23 US disclosed
EP-2552199-B1 IMPROVED STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE ONCONOVA THERAPEUTICS INC (US) 2015-06-03 EP disclosed
US-9044427-B2 Compositions and methods for prevention and treatment of wounds ONCONOVA THERAPEUTICS, INC (US) 2015-06-02 US 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-20030060505-A1 Method for protecting cells and tissues from ionizing radiation toxicity with alpha, beta unsaturated aryl sulfones ONCONOVA THERAPEUTICS, INC. 2003-03-27 US 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
WO-2002069892-A2 METHOD FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY WITH α, β UNSATURATED ARYL SULFONES TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-12 WO 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
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 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 (5 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 MAOB 4115/4885CALM1 2077/4885G6PC1 1582/4885
US-20030060505-A1 Method for protecting cells and tissues from ionizing radiation toxicity with alpha, beta unsaturated aryl sulfones ARSA, SULT2A1, CYP2S1 MAOB 2545/4885CALM1 4179/4885G6PC1 2711/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS MAOB 4390/4885CALM1 2788/4885G6PC1 2107/4885
US-20150238448-A1 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES ARSA, AHR, SULT2A1 MAOB 1564/4885CALM1 2967/4885G6PC1 2129/4885
US-20150265549-A1 STABLE AQUEOUS FORMULATION OF (E)-4-CARBOXYSTYRYL-4-CHLOROBENZYL SULFONE TTPA, EBP, ADH1A MAOB 966/4885CALM1 3086/4885G6PC1 1358/4885

“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.