SCHEMBL18806013

SCHEMBL18806013

Cc1cc(-c2cccc(-c3ccc(CP)c(CP)c3)c2)ccc1P

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ APP P05067 1/20 0.31

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
SCHEMBL18308743 0.93 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308793 0.91 ALDH1A1 (0.34) HSD17B1HSD17B2ALDH1A1CYP3A4TSHR
SCHEMBL18308808 0.87 HSD17B1 (0.38) HSD17B1HSD17B2ESR2ALDH1A1CYP3A4
SCHEMBL18308770 0.85 ESR1 (0.34) ESR2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308771 0.85 ESR1 (0.34) ESR2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308731 0.83 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308777 0.83 HSD17B1 (0.39) HSD17B1HSD17B2ESR2CYP3A4MEN1
SCHEMBL18308750 0.82 ALDH1A1 (0.35) HSD17B1HSD17B2ALDH1A1CYP3A4TSHR
SCHEMBL18806018 0.81 HSD17B1 (0.34) HSD17B1HSD17B2ESR2ALDH1A1CYP3A4
SCHEMBL18308801 0.78 HSD17B1 (0.43) HSD17B1HSD17B2ESR2ALDH1A1CYP3A4

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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 — — 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 (2 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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 HSD17B1 4322/4885HSD17B2 4127/4885ESR2 4146/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C HSD17B1 4477/4885HSD17B2 4441/4885ESR2 4322/4885

“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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