SCHEMBL17485685

SCHEMBL17485685

CCCCOCCOC(=O)c1ccc(-c2ccc(OCCCC)cc2)c(C(=O)OCCOCCCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.56
PTPN11 Q06124 3/20 0.53
RARA P10276 1/20 0.50
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL17485639 0.87 RARB (0.58) RARBPTPN11RARAMEN1ALDH1A1
SCHEMBL4807963 0.83 TDP1 (0.52) PTPN11MEN1KMT2ALMNANPC1
SCHEMBL941692 0.82 TSHR (0.58) RARBALDH1A1LMNAESR1CYP1A2
SCHEMBL23393679 0.82 RARB (0.67) RARBALDH1A1KMT2ALMNAESR1
SCHEMBL16363071 0.81 RARB (0.63) RARBRARALMNAESR1CYP1A2
SCHEMBL16362038 0.81 RARB (0.63) RARBRARALMNAESR1CYP1A2
SCHEMBL17547222 0.81 RARB (0.62) RARBRARAKMT2ALMNAESR1
SCHEMBL16362209 0.80 RARB (0.61) RARBRARALMNAESR1CYP1A2
SCHEMBL16362047 0.80 RARB (0.65) RARBRARAMEN1ALDH1A1KMT2A
SCHEMBL17485706 0.79 RARB (0.55) RARBPTPN11RARAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124465-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-02-01 EP disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 US disclosed
EP-2980062-A2 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2016-02-03 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 (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 RARB 3699/4885PTPN11 770/4885RARA 2975/4885

“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.