SCHEMBL18308714

SCHEMBL18308714

PCc1ccc(-c2cccc(-c3ccc(CP)c(CP)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 3/20 0.37
▸ CYP3A4 P08684 4/20 0.35
▸ HSD17B1 P14061 2/20 0.35
▸ HSD17B2 P37059 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ CYP17A1 P05093 3/20 0.35
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL12635520 0.92 AGXT (0.40) TAAR1MEN1ESR1KMT2ACYP3A4
SCHEMBL12635522 0.92 HRH3 (0.35) TAAR1HRH3
SCHEMBL12635510 0.92 HRH3 (0.35) TAAR1HRH3
SCHEMBL12635512 0.90 AGXT (0.37) TAAR1MEN1ESR1KMT2ACYP11B1
SCHEMBL18308720 0.89 MEN1 (0.48) TAAR1MEN1ESR1KMT2AMAOB
SCHEMBL26031807 0.85 TAAR1 (0.54) TAAR1MEN1ESR1KMT2A
SCHEMBL25959379 0.85 TAAR1 (0.38) TAAR1MEN1ESR1KMT2AMAOB
SCHEMBL18621858 0.84 MEN1 (0.40) TAAR1MEN1ESR1KMT2ACYP3A4
SCHEMBL12635525 0.84 ESR1 (0.38) ESR1CYP3A4HSD17B1HSD17B2CYP2C9
SCHEMBL18308800 0.83 RXRA (0.34) —

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-20180201837-A1 Method of Reducing ODF Mura in Polymer Stabilised Liquid Crystal Displays MERCK PATENT GMBH (DE) 2018-07-19 — — 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-9594283-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-03-14 — — 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 TAAR1 3749/4885MEN1 2071/4885ESR1 2744/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C TAAR1 3404/4885MEN1 2402/4885ESR1 2626/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 TAAR1 3256/4885MEN1 2138/4885ESR1 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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