SCHEMBL18308738

SCHEMBL18308738

Cc1cc(-c2ccc(P)c(C)c2)ccc1P

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TP53 P04637 2/20 0.35
▸ HSD17B1 P14061 2/20 0.35
▸ HSD17B2 P37059 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ RXRB P28702 1/20 0.31

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
SCHEMBL18308752 0.97 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL18308736 0.92 MCL1 (0.42) ALDH1A1CYP3A4TSHRTDP1MCL1
SCHEMBL18308730 0.90 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL18308759 0.90 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL18308758 0.90 MCL1 (0.41) ALDH1A1CYP3A4TSHRTDP1HSD17B1
SCHEMBL18308768 0.90 TDP1 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL18308732 0.90 TDP1 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL9016335 0.88 HSD17B1 (0.42) ALDH1A1CYP3A4TSHRTDP1HSD17B1
SCHEMBL23098860 0.86 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308731 0.84 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRTDP1RXRB

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 ALDH1A1 4572/4885CYP3A4 1699/4885TSHR 4856/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ALDH1A1 4590/4885CYP3A4 2477/4885TSHR 4834/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 ALDH1A1 4429/4885CYP3A4 2115/4885TSHR 4853/4885

“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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