SCHEMBL1784538

SCHEMBL1784538

CCc1ccc(CC=COC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
TUBB1 Q9H4B7 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
IDO1 P14902 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL5021267 1.00 TP53 (0.37) TP53TUBB1TAAR1ALDH1A1SMN1; SMN2
SCHEMBL1781453 0.83 THRB (0.40) TP53ALDH1A1SMN1; SMN2TSHRCYP3A4
SCHEMBL5021264 0.83 THRB (0.40) TP53ALDH1A1SMN1; SMN2TSHRCYP3A4
SCHEMBL1781780 0.83 AGXT (0.45) TP53TAAR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL5021265 0.83 AGXT (0.45) TP53TAAR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL1789139 0.81 ALDH1A1 (0.59) TP53ALDH1A1SMN1; SMN2TSHRCYP3A4
SCHEMBL15870434 0.81 IDO1 (0.43) TP53TAAR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL5032523 0.81 IDO1 (0.45) TAAR1ALDH1A1IDO1KDM4ECA2
SCHEMBL5598799 0.81 ALDH1A1 (0.59) TP53TAAR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL5021268 0.80 CA2 (0.43) TP53ALDH1A1SMN1; SMN2CYP3A4LPL

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 6 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 claimed
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 claimed
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 claimed
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-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 TP53 2219/4885TUBB1 1098/4885TAAR1 437/4885
US-20110118170-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, OR51E2, CYP1B1 TP53 2219/4885TUBB1 1098/4885TAAR1 437/4885

“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.