SCHEMBL25959379

SCHEMBL25959379

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ ABCB1 P08183 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ MAOB P27338 5/20 0.35
▸ CYP3A4 P08684 4/20 0.33
▸ CYP17A1 P05093 3/20 0.33
▸ CYP11B1 P15538 3/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ APP P05067 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
SCHEMBL18308720 0.86 MEN1 (0.48) TAAR1MEN1ESR1KMT2AABL1
SCHEMBL18308714 0.85 TAAR1 (0.40) TAAR1MEN1ESR1KMT2AABL1
SCHEMBL18308717 0.82 MEN1 (0.41) TAAR1MEN1ESR1KMT2AABL1
SCHEMBL26031807 0.82 TAAR1 (0.54) TAAR1MEN1ESR1KMT2A
SCHEMBL18621857 0.79 MEN1 (0.41) TAAR1MEN1ESR1KMT2AABL1
SCHEMBL20382344 0.78 PTGER4 (0.39) TAAR1MEN1ESR1KMT2AABL1
SCHEMBL18621838 0.78 RXRA (0.39) TAAR1MEN1ESR1KMT2AABL1
SCHEMBL18308715 0.77 PTPN5 (0.42) TAAR1MEN1ESR1KMT2AMAOB
SCHEMBL12635520 0.77 AGXT (0.40) TAAR1MEN1ESR1KMT2AABL1
SCHEMBL12635522 0.76 HRH3 (0.35) TAAR1HRH3

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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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