SCHEMBL866960

SCHEMBL866960

Nc1ccc(C(C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCCCC(F)(F)F)cc3)cc2)C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCCCC(F)(F)F)cc3)cc2)c(N)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.37
ABCG2 Q9UNQ0 3/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
MAOB P27338 3/20 0.35
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL866346 1.00 PPARA (0.37) PPARAABCG2CYP1A1CYP1B1MAOB
SCHEMBL865721 0.97 ABCG2 (0.36) PPARAABCG2CYP1A1CYP1B1MAOB
SCHEMBL866672 0.97 ABCG2 (0.36) PPARAABCG2CYP1A1CYP1B1MAOB
SCHEMBL865683 0.93 PPARA (0.36) PPARAABCG2CYP1A1CYP1B1MAOB
SCHEMBL866583 0.93 PPARA (0.36) PPARAABCG2CYP1A1CYP1B1MAOB
SCHEMBL867691 0.92 MAOB (0.39) PPARAABCG2CYP1A1CYP1B1MAOB
SCHEMBL865820 0.92 MAOB (0.39) PPARAABCG2CYP1A1CYP1B1MAOB
SCHEMBL867335 0.89 LMNA (0.39) ABCG2
SCHEMBL867059 0.89 KDM4E (0.42) ABCG2
SCHEMBL866260 0.88 PPARA (0.39) PPARAABCG2CYP1A1CYP1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649916-B Photocrosslinkable materials 罗利克有限公司 2020-12-01 CN claimed
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
US-10557085-B2 Photoalignment composition ROLIC AG (CH) 2020-02-11 US disclosed
US-20180079961-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2018-03-22 US disclosed
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
EP-1966119-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-10-19 EP disclosed
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-8173749-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-05-08 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 US disclosed
EP-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2305631-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP 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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD PPARA 1787/4885ABCG2 4577/4885CYP1A1 3056/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD PPARA 1787/4885ABCG2 4577/4885CYP1A1 3056/4885

“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.