SCHEMBL18308768

SCHEMBL18308768

Cc1ccc(-c2ccc(-c3ccc(P)c(C)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MCL1 Q07820 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL18308732 1.00 TDP1 (0.41) TDP1CYP3A4ALDH1A1TSHRMCL1
SCHEMBL18308752 0.93 ALDH1A1 (0.46) TDP1CYP3A4ALDH1A1TSHRMCL1
SCHEMBL18308801 0.92 HSD17B1 (0.43) TDP1CYP3A4ALDH1A1TSHRMCL1
SCHEMBL18308783 0.92 RXRA (0.37) TDP1CYP3A4ALDH1A1TSHRMCL1
SCHEMBL18308738 0.90 ALDH1A1 (0.48) TDP1CYP3A4ALDH1A1TSHRMCL1
SCHEMBL18308769 0.90 ESR2 (0.38) TDP1CYP3A4ALDH1A1TSHRMCL1
SCHEMBL18308730 0.86 ALDH1A1 (0.41) TDP1CYP3A4ALDH1A1TSHRHSD17B1
SCHEMBL18308759 0.86 ALDH1A1 (0.41) TDP1CYP3A4ALDH1A1TSHRHSD17B1
SCHEMBL18308758 0.86 MCL1 (0.41) TDP1CYP3A4ALDH1A1TSHRMCL1
SCHEMBL9016335 0.84 HSD17B1 (0.42) TDP1CYP3A4ALDH1A1TSHRHSD17B1

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 4 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-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 TDP1 3248/4885CYP3A4 1699/4885ALDH1A1 4572/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C TDP1 3487/4885CYP3A4 2477/4885ALDH1A1 4590/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 TDP1 2439/4885CYP3A4 2115/4885ALDH1A1 4429/4885

“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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