SCHEMBL18308717

SCHEMBL18308717

PCc1ccc(-c2cccc(-c3cc(CP)cc(CP)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TAAR1 Q96RJ0 5/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ MAOB P27338 2/20 0.38
▸ AGXT P21549 2/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ PRKCI P41743 1/20 0.36
▸ CYP17A1 P05093 3/20 0.36
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ BCL2 P10415 1/20 0.36

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
SCHEMBL18308720 0.91 MEN1 (0.48) MEN1ESR1KMT2ATAAR1ABL1
SCHEMBL12635517 0.89 AGXT (0.41) MEN1ESR1KMT2AABL1ABCB1
SCHEMBL20382345 0.89 HRH3 (0.38) ESR1TAAR1CYP17A1CYP11B1HRH3
SCHEMBL12635516 0.89 HRH3 (0.38) ESR1TAAR1CYP17A1CYP11B1HRH3
SCHEMBL12635519 0.89 HRH3 (0.38) ESR1TAAR1CYP17A1CYP11B1HRH3
SCHEMBL18806021 0.88 MEN1 (0.39) MEN1ESR1KMT2ATAAR1ABL1
SCHEMBL26031807 0.87 TAAR1 (0.54) MEN1ESR1KMT2ATAAR1AGXT
SCHEMBL26263997 0.84 RXRA (0.39) ESR1ABL1ABCB1BCRCYP17A1
SCHEMBL18621857 0.83 MEN1 (0.41) MEN1ESR1KMT2ATAAR1ABL1
SCHEMBL18621856 0.83 MEN1 (0.36) MEN1ESR1KMT2ATAAR1ABL1

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 5 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-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 MEN1 2071/4885ESR1 2744/4885KMT2A 3334/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C MEN1 2402/4885ESR1 2626/4885KMT2A 3497/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 MEN1 2138/4885ESR1 3527/4885KMT2A 3905/4885

“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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