SCHEMBL1782936

SCHEMBL1782936

CO/C=C(\C)Cc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.38
AGXT P21549 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IDO1 P14902 1/20 0.37
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
MAOB P27338 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
SCHEMBL1782938 1.00 CTBP2 (0.38) CTBP2AGXTL3MBTL1NPC1RAB9A
SCHEMBL1782119 0.84 SMN1; SMN2 (0.39) L3MBTL1NPC1RAB9AIDO1HPGD
SCHEMBL1782120 0.84 SMN1; SMN2 (0.39) L3MBTL1NPC1RAB9AIDO1HPGD
SCHEMBL2687223 0.82 CES2 (0.41) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL2687225 0.82 CES2 (0.41) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL1781153 0.81 LPL (0.41) L3MBTL1NPC1RAB9AHPGDKMT2A
SCHEMBL1781155 0.81 LPL (0.41) L3MBTL1NPC1RAB9AHPGDKMT2A
SCHEMBL1785083 0.79 CXCR1 (0.41)
SCHEMBL14726697 0.79 GAPDH (0.36) CTBP2AGXTL3MBTL1NPC1RAB9A
SCHEMBL1783394 0.79 LMNA (0.43) L3MBTL1NPC1RAB9ATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168834-B2 4-alkyl 1-(3-methoxy-2-propen-1-yl) benzene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-01 US disclosed
US-8168834-B2 4-alkyl 1-(3-methoxy-2-propen-1-yl) benzene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-01 US disclosed
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-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-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
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 CTBP2 1161/4885AGXT 3040/4885L3MBTL1 4584/4885
US-20110118170-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, OR51E2, CYP1B1 CTBP2 1161/4885AGXT 3040/4885L3MBTL1 4584/4885

“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.