SCHEMBL1783394

SCHEMBL1783394

COC=C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NR1H4 Q96RI1 5/20 0.39
EPHX2 P34913 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESRRB O95718 1/20 0.38
ESRRG P62508 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
APP P05067 1/20 0.37
CACNA1I Q9P0X4 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL1783392 1.00 LMNA (0.43) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL3132115 0.83 LMNA (0.42) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL3132110 0.83 LMNA (0.42) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL5186509 0.81 SMN1; SMN2 (0.43) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL5186521 0.81 SMN1; SMN2 (0.43) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL5494077 0.81 SMN1; SMN2 (0.43) LMNASMN1; SMN2MAPTNR1H4EPHX2
SCHEMBL1782120 0.79 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTTP53MEN1
SCHEMBL1782936 0.79 CTBP2 (0.38) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL1782938 0.79 CTBP2 (0.38) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL1782119 0.79 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTTP53MEN1

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 LMNA 3001/4885SMN1; SMN2 3237/4885MAPT 2689/4885
US-20110118170-A1 NOVEL 4-ALKYL 1-(3-METHOXY-2-PROPEN-1-YL) BENZENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, OR51E2, CYP1B1 LMNA 3001/4885SMN1; SMN2 3237/4885MAPT 2689/4885

“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.