SCHEMBL804964

SCHEMBL804964

CC(C)(C)OC(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
MAOB P27338 6/20 0.49
MAOA P21397 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC2 Q92769 1/20 0.47
PPARA Q07869 1/20 0.47
CXCL12 P48061 1/20 0.46
ESR1 P03372 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TYR P14679 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7695878 1.00 CYP1A2 (0.56) CYP1A2MAOBMAOALMNANPC1
SCHEMBL13845314 0.91 CA12 (0.53) CYP1A2LMNANPC1ALDH1A1MAPT
SCHEMBL4055668 0.91 CA12 (0.53) CYP1A2LMNANPC1ALDH1A1MAPT
SCHEMBL4055672 0.91 CA12 (0.53) CYP1A2LMNANPC1ALDH1A1MAPT
SCHEMBL4065769 0.86 CA12 (0.49) CYP1A2MAPTHDAC2ESR1CA12
SCHEMBL4065768 0.86 CA12 (0.49) CYP1A2MAPTHDAC2ESR1CA12
SCHEMBL8091741 0.84 CA12 (0.66) MAOBMAOAALDH1A1MAPTRAB9A
SCHEMBL1322439 0.84 KMT2A (0.54) CYP1A2LMNANPC1ALDH1A1MAPT
SCHEMBL799522 0.84 MAPT (0.53) MAOBMAOAALDH1A1MAPTRAB9A
SCHEMBL1322440 0.84 KMT2A (0.54) CYP1A2LMNANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP claimed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US claimed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US claimed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP claimed
CN-106795327-A Resin composition and optical compensation film using the same 东曹株式会社 2017-05-31 CN claimed
CN-106795327-B Resin composition and optical compensation film using the same 东曹株式会社 2019-08-30 CN disclosed
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP disclosed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US disclosed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US disclosed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP disclosed
CN-106795327-A Resin composition and optical compensation film using the same 东曹株式会社 2017-05-31 CN disclosed
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US disclosed
US-6342627-B1 ESTER INTERCHANGE WITH ALCOHOL IN THE PRESENCE OF LANTHANOIDE METAL ALKOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-29 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B CYP1A2 1920/4885MAOB 242/4885MAOA 331/4885
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 CYP1A2 591/4885MAOB 976/4885MAOA 1027/4885

“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.