SCHEMBL20118652

SCHEMBL20118652

CCc1cc(C)ccc1C#Cc1ccc(/C(F)=C(\F)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.40
ACACB O00763 2/20 0.38
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
VCP P55072 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
CA1 P00915 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
GRM5 P41594 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
SCHEMBL20118720 0.94 FFAR1 (0.37) FFAR1ACACBCA12CA2CA9
SCHEMBL20118731 0.91 HSD17B1 (0.38) FFAR1ACACBCA12CA2CA9
SCHEMBL20118567 0.90 RARB (0.36) FFAR1ACACBEGLN1EGLN3FFAR4
SCHEMBL18622100 0.84 FFAR1 (0.33) FFAR1ACACBCA12CA2CA9
SCHEMBL19258694 0.84 FFAR1 (0.33) FFAR1ACACBCA12CA2CA9
SCHEMBL25573555 0.84 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL20118724 0.78 FFAR1 (0.35) FFAR1ACACB
SCHEMBL17954457 0.78 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL20118729 0.77 ACACB (0.44) FFAR1ACACBCA12CA2CA9
SCHEMBL19412651 0.76 ACACB (0.39) FFAR1ACACBCA12CA2CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
EP-3529331-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-10-07 EP disclosed
US-20190330530-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
WO-2018077765-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 WO 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 (1 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-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 FFAR1 3447/4885ACACB 2837/4885CA12 213/4885

“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.