SCHEMBL18308736

SCHEMBL18308736

Cc1ccc(-c2ccc(P)c(C)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR7 P34969 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PTGS2 P35354 2/20 0.34
▸ ALPL P05186 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALOX12 P18054 1/20 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
SCHEMBL18308758 0.98 MCL1 (0.41) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308738 0.92 ALDH1A1 (0.48) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308752 0.90 ALDH1A1 (0.46) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29702110 0.84 ALDH1A1 (0.55) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL3084322 0.84 ALDH1A1 (0.55) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308730 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308768 0.83 TDP1 (0.41) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308759 0.83 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18308732 0.83 TDP1 (0.41) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL9016335 0.81 HSD17B1 (0.42) ALDH1A1CYP3A4TSHRTDP1MAPT

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 MCL1 1595/4885ALDH1A1 4572/4885CYP3A4 1699/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C MCL1 1419/4885ALDH1A1 4590/4885CYP3A4 2477/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 MCL1 3415/4885ALDH1A1 4429/4885CYP3A4 2115/4885

“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.

Send feedback