SCHEMBL21288985

SCHEMBL21288985

Oc1cc(-c2ccc(P)cc2)ccc1P

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.46
▸ ALOX5 P09917 4/20 0.44
▸ CYP3A4 P08684 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ QDPR P09417 3/20 0.40
▸ HNF4A P41235 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ HSD17B1 P14061 3/20 0.36
▸ HSD17B2 P37059 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL21288986 0.77 APP (0.42) APPALOX5CYP3A4ALOX15HSD17B10
SCHEMBL23315174 0.77 — —
SCHEMBL18388071 0.73 MEN1 (0.30) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9926565 0.72 ALDH1A1 (0.38) CYP3A4HSD17B10ESR1ALDH1A1ESR2
SCHEMBL18820407 0.71 — —
SCHEMBL18308730 0.71 ALDH1A1 (0.41) CYP3A4HSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL21289083 0.71 ALOX5 (0.41) APPALOX5HSD17B10HSD17B1ESR1
SCHEMBL18411506 0.71 — —
SCHEMBL19824460 0.71 KIF11 (0.35) CYP3A4HSD17B10HSD17B1HSD17B2ESR1
SCHEMBL18308759 0.71 ALDH1A1 (0.41) CYP3A4HSD17B1HSD17B2ALDH1A1HPGD

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
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 — — US disclosed
US-11225606-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2022-01-18 — — US disclosed
US-20210139781-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2021-05-13 — — US disclosed
US-20190256777-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-08-22 — — 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 (4 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 APP 1164/4885ALOX5 1504/4885CYP3A4 1699/4885
US-11225606-B2 Polymerizable compounds and the use thereof in liquid-crystal displays VCL, PLEC, EML4 APP 799/4885ALOX5 2243/4885CYP3A4 2115/4885
US-20190256777-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 APP 799/4885ALOX5 2243/4885CYP3A4 2115/4885
US-20210139781-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, ILK, LCP1 APP 1164/4885ALOX5 1504/4885CYP3A4 1699/4885

“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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