SCHEMBL11954892

SCHEMBL11954892

O=Cc1cc(CCCO)cc(CCCO)c1O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.45
TNKS2 Q9H2K2 1/20 0.40
ERN1 O75460 8/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CBS P35520 1/20 0.33
PIM1 P11309 1/20 0.32

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
SCHEMBL3967922 0.85 NPC1 (0.44) CDK1ERN1LMNAMAPT
SCHEMBL17903485 0.83 ERN1 (0.37) CDK1ERN1PIM1
SCHEMBL5673519 0.82 PTGS2 (0.50) CDK1LMNA
SCHEMBL7251486 0.78 PTGS2 (0.49) CDK1LMNA
SCHEMBL882872 0.78 CYP2C19 (0.39) CDK1ERN1LMNA
SCHEMBL3965795 0.77 ERN1 (0.42) CDK1ERN1LMNAMAPT
SCHEMBL28528307 0.74 NPC1 (0.41) CDK1ERN1LMNAMAPT
SCHEMBL29942736 0.74 KDM4E (0.57) CDK1ERN1LMNAMAPT
SCHEMBL18218320 0.74 KDM4E (0.57) CDK1ERN1LMNAMAPT
SCHEMBL23043240 0.74 CDK1 (0.80) CDK1ERN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414743-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-9279082-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2016-03-08 US disclosed
US-9279082-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2016-03-08 US disclosed
EP-2665798-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-10-08 EP disclosed
US-20130308081-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
WO-2012097858-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2012-07-26 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-10414743-B2 Polymerizable compounds and the use thereof in liquid-crystal displays VCL, LPXN, ACP3 CDK1 141/4885TNKS2 1647/4885ERN1 3042/4885
US-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, LCP1 CDK1 195/4885TNKS2 1568/4885ERN1 2793/4885

“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.