SCHEMBL227893

SCHEMBL227893

Cc1[c]ccc(C)c1-c1cccc(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
MYC P01106 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
NUDT1 P36639 4/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
SLC9A1 P19634 1/20 0.32
HTR2C P28335 2/20 0.31
DPP4 P27487 1/20 0.31
PDK2 Q15119 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5147351 0.80 TRPA1 (0.37) TRPA1ATMCA1CA2CA7
SCHEMBL11741027 0.79 MYC (0.48) TRPA1ATMMYCCA1CA2
SCHEMBL7762823 0.77 DHFR (0.47) CA1CA2CA9CYP1A2CYP2A6
SCHEMBL18039125 0.76 ALDH1A1 (0.40) MYCMAPT
SCHEMBL9275545 0.74 TRPA1 (0.32) TRPA1ATM
SCHEMBL6699053 0.74 TRPA1 (0.38) TRPA1ATMCA1CA2CA7
SCHEMBL7450369 0.73 MYC (0.32) TRPA1ATMMYCP2RX7
SCHEMBL2320148 0.72 PLA2G7 (0.36) CYP1A2
SCHEMBL9004948 0.72 HSD11B1 (0.44) TRPA1PDK2
SCHEMBL125358 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830385-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. Grace & Co.-Conn. (US) 1998-03-25 EP claimed
WO-1996013531-A1 PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS W.R. GRACE & CO.-CONN. (US) 1996-05-09 WO claimed
EP-2407514-B1 REINFORCED POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2017-03-01 EP disclosed
US-9249267-B2 Resin-additive masterbatch ADEKA CORPORATION (JP) 2016-02-02 US disclosed
EP-2077298-B1 POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2014-09-24 EP disclosed
US-8829084-B2 Reinforced polyester resin composition ADEKA CORPORATION (JP) 2014-09-09 US disclosed
EP-2578620-A1 RESIN-ADDITIVE MASTERBATCH Adeka Corporation (JP) 2013-04-10 EP disclosed
US-20130065994-A1 RESIN-ADDITIVE MASTERBATCH ADEKA CORPORATION (JP) 2013-03-14 US disclosed
EP-2022826-B1 POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2012-05-16 EP disclosed
EP-2407514-A1 REINFORCED POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2012-01-18 EP disclosed
US-20120004363-A1 REINFORCED POLYESTER RESIN COMPOSITION ADEKA CORPORATION (JP) 2012-01-05 US disclosed
US-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND EKIMOTO HISAO 2011-02-10 US disclosed
US-20110015319-A1 POLYESTER RESIN COMPOSITION ADEKA CORPORATION (JP) 2011-01-20 US disclosed
US-20100113710-A1 POLYESTER RESIN COMPOSITION ADEKA CORPORATION (JP) 2010-05-06 US disclosed
EP-2177525-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC COMPOSITION COMPRISING THE METAL COMPLEX COMPOUND AS ACTIVE INGREDIENT, AND INTERMEDIATE FOR PRODUCTION OF THE METAL COMPLEX COMPOUND TMRC Co., Ltd. (JP) 2010-04-21 EP disclosed
EP-2077298-A1 POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2009-07-08 EP disclosed
EP-2022826-A1 POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2009-02-11 EP disclosed
EP-0830392-A1 SUPPORTED CATALYST COMPOSITION FOR POLYMERIZATION OF OLEFINS W.R. Grace & Co.-Conn. (US) 1998-03-25 EP disclosed
EP-0830385-A1 HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS W.R. Grace & Co.-Conn. (US) 1998-03-25 EP disclosed
WO-1996040804-A1 SUPPORTED CATALYST COMPOSITION FOR POLYMERIZATION OF OLEFINS W.R. GRACE & CO.-CONN. (US) 1996-12-19 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 (1 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-20110034714-A1 METAL COMPLEX COMPOUND, CANCER THERAPEUTIC AGENT COMPOSITION CONTAINING THE METAL COMPLEX COMPOUND AS AN ACTIVE INGREDIENT, AND INTERMEDIATE FOR THE METAL COMPLEX COMPOUND NR3C2, NR3C1, MC5R TRPA1 333/4885ATM 1531/4885MYC 160/4885

“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.