SCHEMBL17488400

SCHEMBL17488400

OCCOc1ccc(-c2ccc(O)c(F)c2)c(OCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.47
▸ FEN1 P39748 2/20 0.47
▸ MCL1 Q07820 1/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ PDK2 Q15119 1/20 0.39
▸ PRKAB2 O43741 3/20 0.39
▸ PRKAG1 P54619 3/20 0.39
▸ PRKAA2 P54646 3/20 0.39
▸ PRKAA1 Q13131 3/20 0.39
▸ PRKAG3 Q9UGI9 3/20 0.39
▸ PRKAG2 Q9UGJ0 3/20 0.39
▸ PRKAB1 Q9Y478 3/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ HSD17B1 P14061 2/20 0.38
▸ BCL9 O00512 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ ALDH2 P05091 2/20 0.37
▸ FFAR1 O14842 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL17488402 0.86 ALOX5AP (0.47) ALOX5APFEN1MCL1PDK2BCL9
SCHEMBL17485690 0.82 MCL1 (0.46) ALOX5APFEN1MCL1PRKAB2PRKAG1
SCHEMBL17485688 0.82 ALDH2 (0.51) ESR1ESR2PDK2ALDH2MAOA
SCHEMBL18440858 0.78 FFAR1 (0.47) ALOX5APFEN1FFAR1KDM4EMAPT
SCHEMBL25798565 0.77 APP (0.46) ESR1ESR2ALDH2KDM4EMAPT
SCHEMBL25901103 0.77 APP (0.46) ESR1ESR2ALDH2KDM4EMAPT
SCHEMBL16559862 0.77 IDO1 (0.47) ALOX5APFEN1ESR1ESR2IDO1
SCHEMBL17488401 0.77 L3MBTL1 (0.41) PDK2ALDH2FFAR4MAOAMAOB
SCHEMBL14036590 0.77 NPC1 (0.41) PDK2IDO1ALDH2MAOAMAOB
SCHEMBL4982121 0.77 NPC1 (0.41) PDK2IDO1ALDH2MAOAMAOB

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-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
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
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 ALOX5AP 1023/4885FEN1 3541/4885MCL1 1595/4885

“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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