SCHEMBL3190904

SCHEMBL3190904

COC(=O)C1CC1(C)CCC=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
CD81 P60033 1/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2211209 0.81 CD81 (0.45) CD81ATMALDH1A1MEN1KMT2A
SCHEMBL12512540 0.81 CD81 (0.36) TRPA1CD81
SCHEMBL2210551 0.80 POLB (0.37) TRPA1CD81ATMALDH1A1MEN1
SCHEMBL13796849 0.78 TRPA1 (0.36) TRPA1
SCHEMBL13795718 0.78 LMNA (0.43) TRPA1ALDH1A1MEN1KMT2A
SCHEMBL12511580 0.77 HTT (0.39) TRPA1CD81CYP3A4TSHRALDH1A1
SCHEMBL13796891 0.77 GLA (0.38) TRPA1CD81L3MBTL1TSHRMEN1
SCHEMBL13796893 0.75 EPHX2 (0.34) TRPA1ALDH1A1
SCHEMBL21446949 0.74 TRPA1 (0.35) TRPA1CD81ALDH1A1
SCHEMBL4298030 0.73 ATM (0.38) ATML3MBTL1CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678757-B2 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-03-16 US disclosed
US-20090062405-A1 CYCLOPROPANECARBOXALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-03-05 US disclosed
US-7491688-B2 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-02-17 US disclosed
US-7491688-B2 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-02-17 US disclosed
US-7491688-B2 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-02-17 US disclosed
US-20080026979-A1 Cyclopropancarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-01-31 US disclosed
US-20080026979-A1 Cyclopropancarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-01-31 US disclosed
US-20080026979-A1 Cyclopropancarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2008-01-31 US disclosed
US-7271294-B2 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-09-18 US disclosed
US-7271294-B2 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-09-18 US disclosed
US-7271294-B2 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-09-18 US disclosed
US-20060287557-A1 CYCLOPROPANECARBOXALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2006-12-21 US disclosed
US-7087796-B1 Cyclopropanecarboxaldehydes and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-08-08 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 (3 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-20090062405-A1 CYCLOPROPANECARBOXALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS C5, TRPA1, CYP1B1 TRPA1 2/4885CD81 4025/4885ATM 3312/4885
US-20080026979-A1 Cyclopropancarboxaldehydes and their use in perfume compositions FAAH2, C5, TRPA1 TRPA1 3/4885CD81 3983/4885ATM 3243/4885
US-20060287557-A1 CYCLOPROPANECARBOXALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS C5, TRPA1, FAAH2 TRPA1 2/4885CD81 4212/4885ATM 3321/4885

“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.