SCHEMBL29305752

SCHEMBL29305752

Cc1ccc(C#Cc2ccc(-c3ccc(N=C=S)c(C)c3)cc2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.32
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ACACB O00763 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL29305779 0.93 CYP3A4 (0.35) CYP3A4ADRA2ANPC1RAB9AALDH1A1
SCHEMBL29305748 0.89 GRM5 (0.35) FFAR1ALDH1A1LMNA
SCHEMBL21386531 0.89 FFAR1 (0.30) FFAR1
SCHEMBL29305762 0.88 GRM5 (0.31)
SCHEMBL29305756 0.85 FFAR1 (0.33) FFAR1ACACB
SCHEMBL29305780 0.85 P2RY6 (0.34) FFAR1ACACB
SCHEMBL21386552 0.85 CYP11B1 (0.34)
SCHEMBL25056641 0.84 P2RY6 (0.33) FFAR1ACACB
SCHEMBL29305778 0.84 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL29305774 0.84 ALDH1A1 (0.32) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 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 (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-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME TTI2, CCT4, CCT2 FFAR1 816/4885CYP3A4 4617/4885ADRA2A 2586/4885

“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.