SCHEMBL18311383

SCHEMBL18311383

CCCCOc1ccc(-c2cccc(-c3ccc(O)c(OC)c3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.50
▸ TRPV1 Q8NER1 1/20 0.48
▸ ALOX5 P09917 2/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ FYN P06241 5/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ HDAC4 P56524 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MGLL Q99685 2/20 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
SCHEMBL29260699 0.84 FYN (0.48) ERN1TRPV1ALOX5PTGS1PTGS2
SCHEMBL17547129 0.82 LTA4H (0.64) CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL25759920 0.82 MAOB (0.50) TRPV1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL16581413 0.82 POLB (0.59) ALOX5PTGS1PTGS2FYNPOLB
SCHEMBL18411596 0.81 MCL1 (0.59) ERN1PTGS1PTGS2FYNCYP2C19
SCHEMBL29111485 0.81 ESR1 (0.51) ALOX5FYNCYP2C9CYP2C19MGLL
SCHEMBL18308826 0.77 FYN (0.56) FYNPOLB
SCHEMBL18311384 0.77 PLA2G4B (0.45) ERN1ALOX5FFAR1FFAR4HDAC2
SCHEMBL30957832 0.77 POLB (0.62) ALOX5FYNPOLB
SCHEMBL2524920 0.77 POLB (0.62) ALOX5FYNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121247-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-01-25 — — EP disclosed
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-12-15 — — 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-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 ERN1 1131/4885TRPV1 2299/4885ALOX5 2243/4885

“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.

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