SCHEMBL17485690

SCHEMBL17485690

CCCCOc1ccc(-c2ccc(OCCO)cc2OCCO)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ ALOX5AP P20292 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ FFAR1 O14842 4/20 0.43
▸ PTPN11 Q06124 2/20 0.43
▸ RARA P10276 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ S1PR1 P21453 3/20 0.42
▸ PRKAB2 O43741 2/20 0.42
▸ PRKAG1 P54619 2/20 0.42
▸ PRKAA2 P54646 2/20 0.42
▸ PRKAA1 Q13131 2/20 0.42
▸ PRKAG3 Q9UGI9 2/20 0.42
▸ PRKAG2 Q9UGJ0 2/20 0.42
▸ PRKAB1 Q9Y478 2/20 0.42
▸ S1PR3 Q99500 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL17485686 0.87 PTPN11 (0.49) PTPN11RARBMEN1ALDH1A1KMT2A
SCHEMBL17488402 0.85 ALOX5AP (0.47) MCL1ALOX5APFEN1FFAR1FFAR4
SCHEMBL14354863 0.83 CYP2D6 (0.51) PTPN11MEN1ALDH1A1KMT2ANPC1
SCHEMBL18440858 0.83 FFAR1 (0.47) ALOX5APFEN1FFAR1PPARDMAPT
SCHEMBL17488400 0.82 ALOX5AP (0.47) MCL1ALOX5APFEN1FFAR1FFAR4
SCHEMBL9407106 0.80 RARB (0.46) PTPN11RARARARBS1PR1S1PR3
SCHEMBL11025746 0.80 FFAR1 (0.46) MCL1FFAR1PTPN11RARARARB
SCHEMBL9399572 0.80 S1PR1 (0.49) PTPN11RARARARBS1PR1S1PR3
SCHEMBL18311338 0.79 GAA (0.48) PTPN11MEN1ALDH1A1KMT2ANPC1
SCHEMBL16855845 0.79 CNR2 (0.41) MCL1PTPN11RARARARBS1PR1

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
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
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 — — 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 MCL1 1595/4885ALOX5AP 1023/4885FEN1 3541/4885

“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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