SCHEMBL18806010

SCHEMBL18806010

Cc1cc(-c2cc(CP)cc(CP)c2)ccc1-c1ccc(P)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.33
▸ HSD17B1 P14061 1/20 0.32
▸ RARB P10826 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ SOAT1 P35610 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30

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
SCHEMBL18308773 0.93 ESR1 (0.31) ESR2ESR1ALDH1A1CYP3A4TSHR
SCHEMBL18308748 0.88 RARB (0.35) ESR2HSD17B1RARBESR1ALDH1A1
SCHEMBL18308762 0.88 RARB (0.35) ESR2HSD17B1RARBESR1ALDH1A1
SCHEMBL18806017 0.87 — —
SCHEMBL18308774 0.85 ESR1 (0.33) ESR2ESR1
SCHEMBL18308744 0.84 ESR2 (0.32) ESR2ESR1
SCHEMBL18308735 0.84 RARB (0.36) ESR2HSD17B1RARBESR1DGAT1
SCHEMBL18308766 0.83 ESR1 (0.31) ESR2ESR1ALDH1A1CYP3A4TSHR
SCHEMBL18308757 0.83 RARB (0.35) ESR2HSD17B1RARBESR1DGAT1
SCHEMBL18806015 0.83 HTR7 (0.38) ESR2

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-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 — — US disclosed
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS GMBH, MERCK PATENT (DE) 2017-05-04 — — 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-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ESR2 4322/4885HSD17B1 4477/4885RARB 3023/4885

“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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