SCHEMBL18876264

SCHEMBL18876264

Fc1cc(-c2cccnc2)cc(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP1A2 P05177 1/20 0.62
ERN1 O75460 1/20 0.57
MEN1 O00255 1/20 0.50
PSIP1 O75475 1/20 0.50
AXL P30530 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CYP11B1 P15538 5/20 0.49
CYP11B2 P19099 5/20 0.48
CYP19A1 P11511 2/20 0.48
CYP17A1 P05093 2/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL29625634 0.84 CYP2A6 (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2ERN1
SCHEMBL12326901 0.84 CYP2A6 (0.58) CYP2A6ALDH1A1CYP3A4CYP1A2ERN1
SCHEMBL31508264 0.82 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL12068478 0.82 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL12956908 0.82 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL12108682 0.82 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MEN1
SCHEMBL31403147 0.82 NPY5R (0.62) CYP2A6ALDH1A1CYP3A4CYP1A2ERN1
SCHEMBL18876407 0.82 NPY5R (0.62) CYP2A6ALDH1A1CYP3A4CYP1A2ERN1
SCHEMBL9009066 0.81 CYP2A6 (0.65) CYP2A6ALDH1A1CYP3A4CYP1A2ERN1
SCHEMBL12263188 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1CYP3A4CYP1A2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 CYP2A6 3817/4885ALDH1A1 4362/4885CYP3A4 3978/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 CYP2A6 3817/4885ALDH1A1 4362/4885CYP3A4 3978/4885

“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.