SCHEMBL1781155

SCHEMBL1781155

CCCc1ccc(CC(C)=COC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
PLK1 P53350 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL1781153 1.00 LPL (0.41) LPLLIPGTHRBALDH1A1HPGD
SCHEMBL1782960 0.89 ALDH1A1 (0.51) LPLLIPGTHRBALDH1A1HPGD
SCHEMBL1782962 0.89 ALDH1A1 (0.51) LPLLIPGTHRBALDH1A1HPGD
SCHEMBL1782120 0.85 SMN1; SMN2 (0.39) LPLLIPGALDH1A1HPGDPLK1
SCHEMBL1782119 0.85 SMN1; SMN2 (0.39) LPLLIPGALDH1A1HPGDPLK1
SCHEMBL1782938 0.81 CTBP2 (0.38) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL1782936 0.81 CTBP2 (0.38) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL2687223 0.79 CES2 (0.41) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL2687225 0.79 CES2 (0.41) ALDH1A1NPC1MAPTRAB9AKMT2A
SCHEMBL1783394 0.76 LMNA (0.43) ALDH1A1HSD17B10NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118509-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110118170-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 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 (2 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-20110118509-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, OR51E2, CYP1B1 LPL 1171/4885LIPG 2199/4885THRB 4344/4885
US-20110118170-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, OR51E2, CYP1B1 LPL 1171/4885LIPG 2199/4885THRB 4344/4885

“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.