SCHEMBL18806021

SCHEMBL18806021

PCc1cc(CP)cc(-c2cccc(-c3ccc(P)cc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.35
▸ AGXT P21549 3/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ APP P05067 1/20 0.33
▸ GGPS1 O95749 2/20 0.33

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
SCHEMBL18806008 0.90 RXRA (0.34) —
SCHEMBL18806003 0.90 RXRA (0.34) —
SCHEMBL18308717 0.88 MEN1 (0.41) MEN1ESR1KMT2AABL1ABCB1
SCHEMBL18621857 0.88 MEN1 (0.41) MEN1ESR1KMT2AABL1ABCB1
SCHEMBL12635517 0.86 AGXT (0.41) MEN1ESR1KMT2AABL1ABCB1
SCHEMBL18621855 0.84 MEN1 (0.34) MEN1ESR1KMT2AABL1ABCB1
SCHEMBL18806016 0.83 RXRA (0.35) —
SCHEMBL26263997 0.81 RXRA (0.39) ESR1ABL1ABCB1BCR
SCHEMBL26767015 0.81 MEN1 (0.55) MEN1ESR1KMT2AABL1ABCB1
SCHEMBL18308720 0.79 MEN1 (0.48) MEN1ESR1KMT2AABL1ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C MEN1 2402/4885ESR1 2626/4885KMT2A 3497/4885

“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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