SCHEMBL2672508

SCHEMBL2672508

O=C(O)/C=C/c1ccc(OC(=O)c2ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
TBXAS1 P24557 2/20 0.42
SRD5A2 P31213 1/20 0.41
MAOB P27338 1/20 0.41
PPARA Q07869 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL2672511 1.00 CYP1A1 (0.44) CYP1A1CYP1B1TBXAS1SRD5A2MAOB
SCHEMBL867103 0.91 PPARA (0.45) CYP1A1CYP1B1TBXAS1SRD5A2MAOB
SCHEMBL867102 0.91 PPARA (0.45) CYP1A1CYP1B1TBXAS1SRD5A2MAOB
SCHEMBL7966663 0.87 TBXAS1 (0.46) CYP1A1CYP1B1TBXAS1PPARAPOLB
SCHEMBL7966668 0.87 TBXAS1 (0.46) CYP1A1CYP1B1TBXAS1PPARAPOLB
SCHEMBL864924 0.86 PPARA (0.46) CYP1A1CYP1B1TBXAS1SRD5A2MAOB
SCHEMBL864925 0.86 PPARA (0.46) CYP1A1CYP1B1TBXAS1SRD5A2MAOB
SCHEMBL2671839 0.86 PPARA (0.46) CYP1A1CYP1B1TBXAS1SRD5A2MAOB
SCHEMBL2671840 0.86 PPARA (0.46) CYP1A1CYP1B1TBXAS1SRD5A2MAOB
SCHEMBL2672288 0.84 PPARA (0.46) CYP1A1CYP1B1TBXAS1SRD5A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2016156079-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2016-10-06 WO disclosed
US-8557922-B2 Photocrosslinkable materials ROLIC AG (CH) 2013-10-15 US disclosed
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2013-01-03 US 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
EP-2142957-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS Rolic AG (CH) 2010-01-13 EP disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO 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 CYP1A1 3056/4885CYP1B1 2893/4885TBXAS1 1670/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CYP1A1 3056/4885CYP1B1 2893/4885TBXAS1 1670/4885

“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.