SCHEMBL3972433

SCHEMBL3972433

CCCCCCCCC1CC1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
SPHK1 Q9NYA1 3/20 0.41
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GBA1 P04062 3/20 0.32
CYP1A2 P05177 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
SPHK2 Q9NRA0 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
SCHEMBL7601852 0.81
SCHEMBL3971544 0.81 ALOX5 (0.43) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL3971572 0.79 GBA1 (0.45) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL416170 0.76 ALOX5 (0.43) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL18657390 0.76 ALOX5 (0.65) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL18685663 0.76 ALOX5 (0.65) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL29971764 0.76 ALOX5 (0.65) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL5241308 0.75 ALOX5 (0.48) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL15155328 0.75 ALOX5 (0.48) ALOX5SPHK1ALDH1A1EPHX1TSHR
SCHEMBL4272165 0.74 ALOX5 (0.41) ALOX5ALDH1A1EPHX1TSHRPOLB

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
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-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
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
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
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
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 ALOX5 156/4885SPHK1 1330/4885ALDH1A1 410/4885

“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.