SCHEMBL18308790

SCHEMBL18308790

Cc1ccc(-c2cccc(-c3ccc(P)c(C)c3)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ PGR P06401 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CA12 O43570 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
SCHEMBL18308769 0.86 ESR2 (0.38) ESR2ESR1HSD17B1HSD17B2CA12
SCHEMBL18308788 0.85 PGR (0.41) ESR2ESR1FFAR1HSD17B1HSD17B2
SCHEMBL18308801 0.84 HSD17B1 (0.43) ESR2ESR1HSD17B1HSD17B2MAPT
SCHEMBL30196173 0.84 ESR2 (0.47) ESR2ESR1FFAR1MAPTCNR1
SCHEMBL18308797 0.83 HTR7 (0.35) ESR2ESR1FFAR1HSD17B1HSD17B2
SCHEMBL18308794 0.81 MAPT (0.39) ESR2ESR1FFAR1MAPTPGR
SCHEMBL18308753 0.79 ESR2 (0.38) ESR2ESR1HSD17B1HSD17B2CA12
SCHEMBL18308803 0.78 MAPT (0.40) ESR2ESR1FFAR1HSD17B1HSD17B2
SCHEMBL5551209 0.78 ACHE (0.48) ESR2ESR1FFAR1MAPTPGR
SCHEMBL18308768 0.76 TDP1 (0.41) HSD17B1HSD17B2MAPTNPC1TP53

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 ESR2 4146/4885ESR1 2744/4885FFAR1 4194/4885
US-20170121606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LCP1, MAP1LC3C ESR2 4322/4885ESR1 2626/4885FFAR1 3886/4885
US-20160362606-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, PLEC, EML4 ESR2 4381/4885ESR1 3527/4885FFAR1 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