SCHEMBL1134728

SCHEMBL1134728

Cc1cc2c3cc(C)c(C)cc3c3cc(C)c(C)cc3c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
LDHA P00338 2/20 0.35
LDHB P07195 2/20 0.35
NQO2 P16083 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 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
SCHEMBL24795052 0.82 CYP3A4 (0.53) TSHRCYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL12589323 0.79 TSHR (0.36) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL601246 0.79 CYP1A2 (0.53) TSHRCYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL30674801 0.79 CYP1A2 (0.53) TSHRCYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL8109982 0.78 TSHR (0.57) TSHRCYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL39444 0.78 TSHR (0.57) TSHRCYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL8840937 0.77 CYP1A2 (0.46) CYP3A4ALDH1A1CYP1A2CYP2A6KDM4E
SCHEMBL4586367 0.76 TSHR (0.40) TSHRCYP3A4MAPK1ALDH1A1CYP1A2
SCHEMBL3873017 0.74 MAPT (0.47) KDM4ENQO2ACHEMAPTNPC1
SCHEMBL5180999 0.74 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285340-B1 INITIATOR SYSTEM WITH BIPHENYLENE DERIVATES, METHOD OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2013-07-31 EP disclosed
US-8436067-B2 Initiator system with biphenylene derivates, method of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-05-07 US disclosed
US-20110124764-A1 INITIATOR SYSTEM WITH BIPHENYLENE DERIVATES, METHOD OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2011-05-26 US disclosed
EP-2285340-A2 INITIATOR SYSTEM WITH BIPHENYLENE DERIVATES, METHOD OF PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2011-02-23 EP disclosed
WO-2009152211-A2 INITIATOR SYSTEM WITH BIPHENYLENE DERIVATES, METHOD OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-17 WO disclosed
EP-2133063-A1 Initiator system with biphenylene derivates, method of production and use thereof 3M Innovative Properties Company (US) 2009-12-16 EP disclosed
US-7585928-B2 monomers of acetylenic homo- or copolymers; cured polymers has low dielectric constant as insulating layers in microelectronic devices DOW GLOBAL TECHNOLOGIES (US) 2009-09-08 US disclosed
US-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES LLC 2007-02-01 US disclosed
WO-2005042613-A1 MULTIFUNCTIONAL MONOMERS CONTAINING BOUND MESOGENIC PORAGEN FORMING MOIETIES AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2005-05-12 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-20110124764-A1 INITIATOR SYSTEM WITH BIPHENYLENE DERIVATES, METHOD OF PRODUCTION AND USE THEREOF AIPL1, BMI1, MLLT1 TSHR 3640/4885CYP3A4 227/4885MAPK1 2634/4885
US-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom LRBA, CD74, BMP2 TSHR 4859/4885CYP3A4 783/4885MAPK1 4595/4885

“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.