SCHEMBL18494395

SCHEMBL18494395

C=C(C)COc1ccc(-c2cc(OCCOC(=O)C(=C)C)c(OCCOC(=O)C(=C)C)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FFAR1 O14842 4/20 0.38
▸ FFAR4 Q5NUL3 4/20 0.38
▸ MAPT P10636 6/20 0.37
▸ MAPK1 P28482 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GPR174 Q9BXC1 1/20 0.37
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ALOX12 P18054 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL15495194 0.89 POLB (0.40) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL19497312 0.89 BACE1 (0.45) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL20355302 0.86 MAPT (0.43) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL18699652 0.86 POLB (0.38) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL20343011 0.86 BACE1 (0.42) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL19157295 0.85 POLB (0.37) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL21663329 0.85 POLB (0.37) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL20428196 0.85 POLB (0.37) HTTPOLBAPEX1TDP1FFAR1
SCHEMBL26713016 0.84 HTT (0.45) HTTPOLBAPEX1TDP1MAPT
SCHEMBL19683314 0.84 ELANE (0.38) HTTPOLBAPEX1TDP1FFAR1

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
US-20180188586-A1 PROCESS OF PREPARING A LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2018-07-05 — — US disclosed
US-20170037316-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 — — 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-20170037316-A1 LIQUID-CRYSTALLINE MEDIUM FES, NEFM, SOST HTT 222/4885POLB 2048/4885APEX1 4360/4885

“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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