SCHEMBL15728708

SCHEMBL15728708

CCCC(C)CCCCCc1ccc(C)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL15185196 0.94 TYR (0.31) TYR
SCHEMBL16926151 0.93 TYR (0.31) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL15444497 0.87 — —
SCHEMBL16433551 0.84 MEN1 (0.30) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL16809953 0.84 TYR (0.33) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL15279094 0.81 HTR2A (0.39) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL14929995 0.80 TYR (0.31) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL19196917 0.80 TYR (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL12238347 0.78 TYR (0.46) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL15727945 0.78 TSHR (0.35) TYRMEN1TP53CYP3A4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9835890-B2 Liquid crystal display MERCK PATENG GMBH (DE) 2017-12-05 — — US disclosed
US-9428694-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2016-08-30 — — 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-20150205158-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2015-07-23 — — US disclosed
US-20140139786-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-05-22 — — 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-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, LCP1 TYR 1329/4885MEN1 1881/4885TP53 1148/4885

“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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