SCHEMBL18308801

SCHEMBL18308801

Cc1ccc(-c2cccc(-c3ccc(P)c(C)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.43
▸ HSD17B2 P37059 2/20 0.43
▸ DHODH Q02127 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ PTPN5 P54829 1/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ ABL1 P00519 2/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ BCR P11274 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALKBH3 Q96Q83 1/20 0.35
▸ SLC5A2 P31639 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL18308768 0.92 TDP1 (0.41) HSD17B1HSD17B2MEN1KMT2APTPN5
SCHEMBL18308732 0.92 TDP1 (0.41) HSD17B1HSD17B2MEN1KMT2APTPN5
SCHEMBL18308783 0.88 RXRA (0.37) HSD17B1HSD17B2DHODHMEN1KMT2A
SCHEMBL9016335 0.85 HSD17B1 (0.42) HSD17B1HSD17B2MEN1KMT2AESR1
SCHEMBL18308752 0.85 ALDH1A1 (0.46) HSD17B1HSD17B2ESR2ALDH1A1CYP3A4
SCHEMBL18308790 0.84 ESR2 (0.38) HSD17B1HSD17B2ESR1ESR2MAPT
SCHEMBL18308738 0.82 ALDH1A1 (0.48) HSD17B1HSD17B2ESR2ALDH1A1CYP3A4
SCHEMBL29892442 0.82 MEN1 (0.55) HSD17B1HSD17B2DHODHMEN1KMT2A
SCHEMBL18308769 0.82 ESR2 (0.38) HSD17B1HSD17B2ESR1ESR2ALDH1A1
SCHEMBL18308777 0.82 HSD17B1 (0.39) HSD17B1HSD17B2MEN1KMT2AESR1

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 4127/4885DHODH 3669/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C HSD17B1 4477/4885HSD17B2 4441/4885DHODH 3431/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 HSD17B1 4390/4885HSD17B2 4365/4885DHODH 4107/4885

“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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