SCHEMBL18308751

SCHEMBL18308751

Cc1cc(-c2ccc(-c3ccc(CP)cc3)cc2C)ccc1P

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ RARB P10826 2/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 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

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
SCHEMBL18308733 0.91 ALDH1A1 (0.35) RARBALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308789 0.91 ALDH1A1 (0.35) RARBALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308797 0.89 HTR7 (0.35) ESR1ESR2AKR1C3AKR1C2
SCHEMBL18308774 0.89 ESR1 (0.33) ESR1ESR2AKR1C3AKR1C2
SCHEMBL18308766 0.87 ESR1 (0.31) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL18308762 0.85 RARB (0.35) ESR1ESR2RARBALDH1A1CYP3A4
SCHEMBL18308777 0.85 HSD17B1 (0.39) ESR1ESR2CYP3A4
SCHEMBL18308748 0.85 RARB (0.35) ESR1ESR2RARBALDH1A1CYP3A4
SCHEMBL18308771 0.83 ESR1 (0.34) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL18308779 0.83 RXRA (0.33) RARBALDH1A1CYP3A4TSHRTDP1

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 3 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
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-12-15 — — 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 (3 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 ESR1 2744/4885ESR2 4146/4885RARB 3699/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ESR1 2626/4885ESR2 4322/4885RARB 3023/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 ESR1 3527/4885ESR2 4381/4885RARB 2523/4885

“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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