SCHEMBL18308779

SCHEMBL18308779

Cc1cc(-c2ccc(CP)cc2)cc(-c2ccc(P)c(C)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ IDH1 O75874 3/20 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
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ RARB P10826 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) ALDH1A1CYP3A4TSHRTDP1RARB
SCHEMBL18308789 0.91 ALDH1A1 (0.35) ALDH1A1CYP3A4TSHRTDP1RARB
SCHEMBL18308777 0.88 HSD17B1 (0.39) IDH1CYP3A4
SCHEMBL20382346 0.86 RXRA (0.41) RXRARXRBIDH1NPC1RAB9A
SCHEMBL18308772 0.84 ALDH1A1 (0.33) RXRARXRBALDH1A1CYP3A4TSHR
SCHEMBL18308783 0.84 RXRA (0.37) RXRARXRBALDH1A1CYP3A4TSHR
SCHEMBL18308751 0.83 ESR1 (0.34) ALDH1A1CYP3A4TSHRTDP1RARB
SCHEMBL18308746 0.82 ALDH1A1 (0.34) RXRARXRBALDH1A1CYP3A4TSHR
SCHEMBL18308782 0.82 RXRA (0.36) RXRARXRBIDH1NPC1RAB9A
SCHEMBL18621838 0.81 RXRA (0.39) RXRARXRBIDH1CYP3A4

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 RXRA 2691/4885RXRB 3380/4885IDH1 3934/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C RXRA 1974/4885RXRB 2761/4885IDH1 4468/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 RXRA 2009/4885RXRB 2698/4885IDH1 4422/4885

“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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