SCHEMBL3971196

SCHEMBL3971196

C1CC2CCC3CC3C2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
CA12 O43570 2/20 0.34
GMNN O75496 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 2/20 0.34
BLM P54132 2/20 0.34
CA9 Q16790 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SGMS1 Q86VZ5 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 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
SCHEMBL31273013 0.97 ALDH1A1 (0.35) ALDH1A1MAPTCA12GMNNCA1
SCHEMBL5067660 0.94 ALDH1A1 (0.41) ALDH1A1MAPTCA12GMNNCA1
SCHEMBL3765866 0.88 ALDH1A1 (0.37) ALDH1A1EPAS1
SCHEMBL31501282 0.88 MAPT (0.36) ALDH1A1MAPTCA12GMNNCA1
SCHEMBL9823006 0.88
SCHEMBL30487174 0.88 MAPT (0.39) ALDH1A1MAPTCA12GMNNCA1
SCHEMBL6682956 0.87 ALDH1A1 (0.43) ALDH1A1MAPTCA12GMNNCA1
SCHEMBL31406992 0.87
SCHEMBL2011115 0.84 ALDH1A1 (0.35) ALDH1A1MAPTCA12GMNNCA1
SCHEMBL11848572 0.83 ALDH1A1 (0.50) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790629-B1 Derivatives of octahydro-cycloprop-indene and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-07-03 EP disclosed
US-7482317-B2 Derivatives of decahydro-cycloprop[e]indene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-01-27 US disclosed
US-7482317-B2 Derivatives of decahydro-cycloprop[e]indene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-01-27 US disclosed
US-20070225200-A1 DERIVATIVES OF DECAHYDRO-CYCLOPROP[E]INDENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-09-27 US disclosed
US-7232795-B2 Derivatives of decahydro-cycloprop[e]indene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-06-19 US disclosed
US-7232795-B2 Derivatives of decahydro-cycloprop[e]indene compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-06-19 US disclosed
EP-1790629-A1 Derivatives of octahydro-cycloprop-indene and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-05-30 EP disclosed
US-20070117727-A1 DERIVATIVES OF DECAHYDRO-CYCLOPROP[E]INDENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2007-05-24 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 (1 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-20070117727-A1 DERIVATIVES OF DECAHYDRO-CYCLOPROP[E]INDENE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS CPT1A, CYP8B1, DECR1 ALDH1A1 410/4885MAPT 3148/4885CA12 2596/4885

“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.