SCHEMBL18308797

SCHEMBL18308797

Cc1cc(-c2cccc(-c3ccc(CP)cc3C)c2)ccc1P

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 2/20 0.35
▸ ESR2 Q92731 3/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30

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
SCHEMBL18308751 0.89 ESR1 (0.34) ESR2ESR1AKR1C3AKR1C2
SCHEMBL18308777 0.87 HSD17B1 (0.39) ESR2HSD17B1HSD17B2ESR1
SCHEMBL18308778 0.86 HTR7 (0.36) HTR7ESR2FFAR1HSD17B1HSD17B2
SCHEMBL18308774 0.84 ESR1 (0.33) HTR7ESR2ESR1AKR1C3AKR1C2
SCHEMBL18308804 0.83 HTR7 (0.36) HTR7ESR2FFAR1ESR1ALDH2
SCHEMBL18806018 0.83 HSD17B1 (0.34) HTR7ESR2HSD17B1HSD17B2ESR1
SCHEMBL18308790 0.83 ESR2 (0.38) ESR2FFAR1HSD17B1HSD17B2ESR1
SCHEMBL18308805 0.83 HTR7 (0.41) HTR7ESR2FFAR1ESR1ALDH2
SCHEMBL18308766 0.83 ESR1 (0.31) ESR2ESR1
SCHEMBL18308785 0.83 HTR7 (0.37) HTR7ESR2FFAR1ESR1ALDH2

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 HTR7 4174/4885ESR2 4146/4885FFAR1 4194/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C HTR7 3960/4885ESR2 4322/4885FFAR1 3886/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 HTR7 4122/4885ESR2 4381/4885FFAR1 3780/4885

“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