SCHEMBL91884

SCHEMBL91884

Cc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.61
PRSS1 P07477 2/20 0.59
ACR P10323 2/20 0.59
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP2A6 P11509 1/20 0.48
THRB P10828 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F2 P00734 1/20 0.47
MMP2 P08253 1/20 0.47
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL13384914 1.00 TP53 (0.61) TP53PRSS1ACRMAPTALDH1A1
SCHEMBL12736311 1.00 TP53 (0.61) TP53PRSS1ACRMAPTALDH1A1
SCHEMBL11709820 0.95 PRSS1 (0.62) TP53PRSS1ACRMAPTALDH1A1
SCHEMBL6864700 0.95 PRSS1 (0.62) TP53PRSS1ACRMAPTALDH1A1
SCHEMBL5881227 0.88 THRB (0.61) TP53PRSS1ACRMAPTALDH1A1
SCHEMBL12736320 0.88 THRB (0.61) TP53PRSS1ACRMAPTALDH1A1
SCHEMBL13867965 0.88 PRSS1 (0.54) TP53PRSS1ACRALDH1A1CYP1A2
SCHEMBL25491839 0.87 PRSS1 (0.63) PRSS1ACRALDH1A1CYP1A2NPC1
SCHEMBL2741097 0.87 PRSS1 (0.63) PRSS1ACRALDH1A1CYP1A2NPC1
SCHEMBL9891377 0.87 PRSS1 (0.63) PRSS1ACRALDH1A1CYP1A2NPC1

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
US-9567522-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-9567522-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
US-20130193376-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2013-08-01 US disclosed
US-8409469-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8333906-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2012-12-18 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20120012785-A1 Liquid Crystal System And Liquid Crystal Display SCHOTT CECILE (TW) 2012-01-19 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-20100258763-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY SCHOTT CECILE 2010-10-14 US disclosed
US-7794621-B2 Liquid crystal system and liquid crystal display MERCK PATENT GMBH (DE) 2010-09-14 US disclosed
US-20090267025-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-29 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 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 (1 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-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK TP53 4159/4885PRSS1 3415/4885ACR 1838/4885

“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.