SCHEMBL867466

SCHEMBL867466

Nc1cc(N)cc(C(C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCCCCC(F)(F)F)cc3)cc2)C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCCCCC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
PPARA Q07869 5/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOB P27338 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL866648 1.00 ABCG2 (0.38) ABCG2CYP1A1CYP1B1PPARAPRSS1
SCHEMBL864867 0.97 PPARA (0.39) ABCG2CYP1A1CYP1B1PPARAPRSS1
SCHEMBL866260 0.97 PPARA (0.39) ABCG2CYP1A1CYP1B1PPARAPRSS1
SCHEMBL866703 0.90 PPARA (0.38) ABCG2CYP1A1CYP1B1PPARAPRSS1
SCHEMBL866886 0.90 PPARA (0.38) ABCG2CYP1A1CYP1B1PPARAPRSS1
SCHEMBL866830 0.90 MAOB (0.39) ABCG2CYP1A1CYP1B1PPARAPRSS1
SCHEMBL866547 0.90 MAOB (0.39) ABCG2CYP1A1CYP1B1PPARAPRSS1
SCHEMBL867153 0.88 LMNA (0.41) ABCG2LMNASMN1; SMN2KDM4EMAPT
SCHEMBL866761 0.88 KDM4E (0.43) ABCG2LMNASMN1; SMN2KDM4EMAPT
SCHEMBL865721 0.88 ABCG2 (0.36) ABCG2CYP1A1CYP1B1PPARAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2305632-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 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
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 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 ABCG2 4577/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ABCG2 4577/4885CYP1A1 3056/4885CYP1B1 2893/4885

“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.