SCHEMBL12635519

SCHEMBL12635519

PCc1ccc(-c2cc(CP)cc(CP)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.38
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ CYP17A1 P05093 1/20 0.34
▸ CYP21A2 P08686 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ TAAR1 Q96RJ0 3/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CHKA P35790 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 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
SCHEMBL12635516 1.00 HRH3 (0.38) HRH3RXRARXRBCYP17A1CYP21A2
SCHEMBL20382345 0.95 HRH3 (0.38) HRH3RXRARXRBCYP17A1CYP21A2
SCHEMBL18308717 0.89 MEN1 (0.41) HRH3CYP17A1CYP11B1TAAR1ESR1
SCHEMBL18308814 0.87 RXRA (0.37) HRH3RXRARXRBESR1
SCHEMBL12214232 0.86 HRH3 (0.47) HRH3CYP17A1CYP11B1TAAR1ESR1
SCHEMBL18308709 0.86 HRH3 (0.47) HRH3CYP17A1CYP11B1TAAR1ESR1
SCHEMBL18806008 0.85 RXRA (0.34) RXRARXRB
SCHEMBL18806003 0.85 RXRA (0.34) RXRARXRB
SCHEMBL20382347 0.80 HRH3 (0.35) HRH3TAAR1ESR1
SCHEMBL12635513 0.80 HSD17B1 (0.38) HRH3CYP17A1CYP11B1ESR1

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 6 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
US-8313669-B2 Liquid-crystal display MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-11-20 — — US disclosed
US-20110101269-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-05 — — 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 HRH3 3602/4885RXRA 2691/4885RXRB 3380/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C HRH3 3458/4885RXRA 1974/4885RXRB 2761/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 HRH3 3535/4885RXRA 2009/4885RXRB 2698/4885
US-20110101269-A1 LIQUID-CRYSTAL DISPLAY KLK3, LPXN, PSAP HRH3 4139/4885RXRA 3141/4885RXRB 3634/4885

“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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