SCHEMBL17488397

SCHEMBL17488397

C=C(C)C(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCOC(=O)C(=C)C)cc3)cc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
POLB P06746 2/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 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
SCHEMBL23137082 1.00 TDP1 (0.52) TDP1POLBAPEX1HTTMAPT
SCHEMBL803172 0.96 TDP1 (0.56) TDP1POLBAPEX1HTTMAPT
SCHEMBL19978522 0.94 POLB (0.59) TDP1POLBAPEX1HTTMAPT
SCHEMBL11986094 0.94 POLB (0.43) TDP1POLBAPEX1HTTMAPT
SCHEMBL17070343 0.93 TDP1 (0.53) TDP1POLBAPEX1HTTMAPT
SCHEMBL12592442 0.93 POLB (0.61) TDP1POLBAPEX1HTTMAPT
SCHEMBL19799417 0.93 POLB (0.61) TDP1POLBAPEX1HTTMAPT
SCHEMBL31520182 0.93 POLB (0.61) TDP1POLBAPEX1HTTMAPT
SCHEMBL21091143 0.92 POLB (0.52) TDP1POLBAPEX1HTTMAPT
SCHEMBL14907480 0.92 POLB (0.52) TDP1POLBAPEX1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938229-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-9938229-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 US disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 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-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, ILK, LCP1 TDP1 3248/4885POLB 3618/4885APEX1 3283/4885

“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.