SCHEMBL18308777

SCHEMBL18308777

Cc1cc(-c2cccc(-c3ccc(CP)cc3)c2)ccc1P

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ TAAR1 Q96RJ0 5/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOB P27338 4/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 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
SCHEMBL18308789 0.93 ALDH1A1 (0.35) HSD17B1HSD17B2CYP3A4
SCHEMBL18308733 0.93 ALDH1A1 (0.35) HSD17B1HSD17B2CYP3A4
SCHEMBL18806018 0.88 HSD17B1 (0.34) HSD17B1HSD17B2MEN1ESR1KMT2A
SCHEMBL18308779 0.88 RXRA (0.33) IDH1CYP3A4
SCHEMBL18308797 0.87 HTR7 (0.35) HSD17B1HSD17B2ESR1ESR2
SCHEMBL18621844 0.86 HSD17B1 (0.41) HSD17B1HSD17B2TAAR1MEN1ESR1
SCHEMBL18308751 0.85 ESR1 (0.34) ESR1ESR2CYP3A4
SCHEMBL18308720 0.83 MEN1 (0.48) HSD17B1HSD17B2TAAR1MEN1ESR1
SCHEMBL18806013 0.83 HSD17B1 (0.35) HSD17B1HSD17B2MEN1ESR1KMT2A
SCHEMBL18308772 0.82 ALDH1A1 (0.33) HSD17B1HSD17B2CYP3A4

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 3 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-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 HSD17B1 4322/4885HSD17B2 4127/4885TAAR1 3749/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C HSD17B1 4477/4885HSD17B2 4441/4885TAAR1 3404/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 HSD17B1 4390/4885HSD17B2 4365/4885TAAR1 3256/4885

“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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