SCHEMBL12418264

SCHEMBL12418264

Cc1ccc2cc(C(F)(F)F)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.59
CYP1A2 P05177 3/20 0.59
KIF11 P52732 2/20 0.53
TDP1 Q9NUW8 1/20 0.50
BACE1 P56817 1/20 0.46
NPBWR1 P48145 1/20 0.44
NFE2L2 Q16236 1/20 0.43
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
METAP2 P50579 1/20 0.41
PTPN1 P18031 2/20 0.40
MCL1 Q07820 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL21240963 0.96 CYP2A6 (0.54) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL18210778 0.93 CYP2A6 (0.61) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL7666053 0.90 KIF11 (0.53) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL12260035 0.88 KIF11 (0.51) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL12405204 0.88 KIF11 (0.51) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL12278239 0.88 KIF11 (0.51) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL12269050 0.86 KIF11 (0.50) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL12277595 0.86 KIF11 (0.46) CYP2A6CYP1A2KIF11TDP1BACE1
SCHEMBL7588186 0.85 BACE1 (0.56) KIF11BACE1METAP2PTPN1MAPK1
SCHEMBL12269163 0.85 KIF11 (0.49) CYP2A6CYP1A2KIF11TDP1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
US-9939555-B2 Cinnamic acid derivative, polymer thereof, and liquid crystal alignment layer comprising cured product thereof DIC CORPORATION (JP) 2018-04-10 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-9708535-B2 Liquid crystal alignment layer DIC CORPORATION (JP) 2017-07-18 US disclosed
US-9684206-B2 Copolymer, and liquid crystal alignment layer including cured product thereof DIC CORPORATION (JP) 2017-06-20 US disclosed
US-20170088777-A1 LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2017-03-30 US disclosed
US-20160274418-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED PRODUCT THEREOF DIC CORPORATION (JP) 2016-09-22 US disclosed
US-9360708-B2 Cinnamic acid derivative, polymer thereof, and liquid crystal alignment layer comprising cured product thereof DIC CORPORATION (JP) 2016-06-07 US disclosed
US-9340634-B2 Polymer for use in liquid crystal alignment layer DIC CORPORATION (JP) 2016-05-17 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
EP-2727903-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING HARDENED PRODUCT OF SAID POLYMER DIC Corporation (JP) 2014-05-07 EP disclosed
US-20140121345-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED PRODUCT THEREOF DIC CORPORATION (JP) 2014-05-01 US disclosed
US-8530137-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-10 US disclosed
US-20130116396-A1 POLYMER FOR USE IN LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2013-05-09 US disclosed
WO-2012165550-A1 CINNAMIC ACID DERIVATIVE, POLYMER THEREOF, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING CURED ARTICLE THEREOF DIC株式会社 (JP) 2012-12-06 WO disclosed
US-20110200935-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 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-20110200935-A1 PHOTORESIST COMPOSITION C1R, F12, C1S CYP2A6 1410/4885CYP1A2 511/4885KIF11 4144/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 CYP2A6 35/4885CYP1A2 69/4885KIF11 3839/4885

“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.