SCHEMBL20118567

SCHEMBL20118567

CCc1cc(C)ccc1C#Cc1ccc2cc(/C(F)=C(\F)c3ccc(C)cc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.36
PLAU P00749 2/20 0.34
ASIC3 Q9UHC3 1/20 0.34
FFAR1 O14842 7/20 0.33
CYP2A6 P11509 1/20 0.33
EGLN1 Q9GZT9 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
ACACB O00763 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
EGLN3 Q9H6Z9 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
SCHEMBL20118652 0.90 FFAR1 (0.40) FFAR1EGLN1FFAR4ACACBEGLN3
SCHEMBL20118720 0.87 FFAR1 (0.37) FFAR1EGLN1ACACBEGLN3
SCHEMBL20118731 0.81 HSD17B1 (0.38) RARBFFAR1EGLN1ACACBEGLN3
SCHEMBL10325691 0.81 PLAU (0.40) RARBPLAUFFAR1MTNR1AMTNR1B
SCHEMBL19258694 0.78 FFAR1 (0.33) FFAR1EGLN1FFAR4ACACBEGLN3
SCHEMBL18622100 0.78 FFAR1 (0.33) FFAR1EGLN1FFAR4ACACBEGLN3
SCHEMBL25573555 0.78 FFAR1 (0.41) RARBFFAR1FFAR4
SCHEMBL20118719 0.73 CYP2A6 (0.54) CYP2A6
SCHEMBL20118724 0.72 FFAR1 (0.35) FFAR1ACACB
SCHEMBL17954457 0.72 FFAR1 (0.44) RARBFFAR1FFAR4

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 RARB 2395/4885PLAU 2460/4885ASIC3 1863/4885

“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.