SCHEMBL18308813

SCHEMBL18308813

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR7 P34969 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ CNR2 P34972 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ ESR1 P03372 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
SCHEMBL18308760 0.89 MCL1 (0.42) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308739 0.89 MCL1 (0.42) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL20382350 0.87 RXRA (0.45) RXRARXRBMAPTHSD17B1HSD17B2
SCHEMBL18621842 0.86 HSD17B1 (0.44) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL26173346 0.85 RXRA (0.48) RXRARXRBALDH1A1TSHRHSD17B1
SCHEMBL18308799 0.83 RXRA (0.42) RXRARXRBMCL1TDP1NPC1
SCHEMBL18987225 0.83 ALDH1A1 (0.46) RXRARXRBMCL1ALDH1A1CYP3A4
SCHEMBL26173308 0.83 RXRA (0.50) RXRARXRBALDH1A1CYP3A4TSHR
SCHEMBL18308776 0.82 RXRA (0.35) RXRARXRBALDH1A1CYP3A4TSHR
SCHEMBL18621840 0.82 RXRA (0.42) RXRARXRBCYP3A4MAPTHSD17B1

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-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
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 3380/4885MCL1 1595/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C RXRA 1974/4885RXRB 2761/4885MCL1 1419/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 RXRA 2009/4885RXRB 2698/4885MCL1 3415/4885

“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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