SCHEMBL18308791

SCHEMBL18308791

Cc1ccc(-c2ccc(-c3ccc(P)cc3C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.38
▸ HSD17B1 P14061 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ HPRT1 P00492 1/20 0.35
▸ PTGS2 P35354 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL18308734 0.98 ESR2 (0.39) ESR2HSD17B1ESR1PTGS2ADORA3
SCHEMBL18308761 0.92 ESR2 (0.40) ESR2HSD17B1ESR1ADORA3TDP1
SCHEMBL18308754 0.91 ESR2 (0.41) ESR2HSD17B1ESR1TDP1ALDH1A1
SCHEMBL18308749 0.91 ESR2 (0.43) ESR2HSD17B1ESR1TDP1CA12
SCHEMBL18308786 0.90 ESR2 (0.37) ESR2HSD17B1ESR1HPRT1PTGS2
SCHEMBL18308763 0.90 ESR2 (0.37) ESR2HSD17B1ESR1HPRT1PTGS2
SCHEMBL18308740 0.89 ESR2 (0.42) ESR2HSD17B1ESR1TDP1CA12
SCHEMBL18308787 0.88 ESR2 (0.40) ESR2HSD17B1ESR1ADORA3TDP1
SCHEMBL18308803 0.87 MAPT (0.40) ESR2HSD17B1ESR1HPRT1ADORA3
SCHEMBL18411623 0.86 ESR2 (0.55) ESR2HSD17B1HPRT1MEN1NPC1

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 ESR2 4146/4885HSD17B1 4322/4885ESR1 2744/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ESR2 4322/4885HSD17B1 4477/4885ESR1 2626/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 ESR2 4381/4885HSD17B1 4390/4885ESR1 3527/4885

“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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