SCHEMBL939671

SCHEMBL939671

CCC(=O)OC(C)C1CCC(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR2 O43614 3/20 0.32
ALOX5 P09917 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL13355186 0.94 LMNA (0.36) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL18354412 0.86 TP53 (0.34) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL18354358 0.86 TP53 (0.34) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL18354410 0.86 TP53 (0.34) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL3784779 0.84 SHBG (0.40) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL27675100 0.82 CHRNB2 (0.32) LMNAALOX5
SCHEMBL27675099 0.82 CHRNB2 (0.32) LMNAALOX5
SCHEMBL28771692 0.81 CPN1 (0.41) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL25293694 0.79 LMNA (0.32) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL28377083 0.78 LMNA (0.32) LMNAMEN1CYP2C19RECQLKMT2A

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 177 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682533-B2 Multi-capsule compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-06-16 US claimed
US-9770608-B2 Multi-capsule compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-09-26 US claimed
US-20170145347-A1 MULTI-CAPSULE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2017-05-25 US claimed
WO-2016106362-A1 LIQUID FABRIC CONDITIONING COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-06-30 WO claimed
US-20150132377-A1 MULTI-CAPSULE COMPOSITIONS INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2015-05-14 US claimed
US-8012554-B2 Bags having odor management capabilities PACTIV CORPORATION (US) 2011-09-06 US claimed
EP-1532990-B1 Deodorizing compositions containing zinc ricinoleate and at least one substituted monocyclic organic compound INT FLAVORS & FRAGRANCES INC (US) 2010-02-17 EP claimed
WO-2009035740-A1 BAGS HAVING ODOR MANAGEMENT CAPABILITIES PACTIV CORPORATION (US) 2009-03-19 WO claimed
US-20090067760-A1 BAGS HAVING ODOR MANAGEMENT CAPABILITIES JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT AND COLLATERAL AGENT 2009-03-12 US claimed
EP-1447102-B1 Cyclohexylethan-1-yl ester mixtures as malodour counteractants and methods for using same INT FLAVORS & FRAGRANCES INC (US) 2008-06-04 EP claimed
EP-1533415-B1 Melamine-formaldehyde microcapsule slurries for fabric article freshening INT FLAVORS & FRAGRANCES INC (US) 2007-02-14 EP claimed
US-20050113282-A1 Melamine-formaldehyde microcapsule slurries for fabric article freshening INTERNATIONAL FLAVORS & FRAGRANCES INC. 2005-05-26 US claimed
EP-1533415-A1 Melamine-formaldehyde microcapsule slurries for fabric article freshening INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-05-25 EP claimed
EP-1532990-A1 Deodorizing compositions containing zinc ricinoleate and at least one substituted monocyclic organic compound INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-05-25 EP claimed
US-20050106192-A1 Synergistically-effective composition of zinc ricinoleate and one or more substituted monocyclic organic compounds and use thereof for preventing and/or suppressing malodors INTERNATIONAL FLAVORS & FRAGRANCES INC. 2005-05-19 US claimed
EP-1447102-A1 Cyclohexylethan-1-yl ester mixtures as malodour counteractants and methods for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-08-18 EP claimed
US-20040156742-A1 Synergistically-effective cyclohexylethan-1-yl ester mixtures as malodour counteractants as measured physiologically and psychometrically and methods for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-08-12 US claimed
US-11987771-B2 Fabric spray composition comprising a non-functionalized silicone nanoemulsion and peg-40 hydrogenated castor oil CONOPCO, INC. (US) 2024-05-21 US disclosed
EP-1447102-A1 Cyclohexylethan-1-yl ester mixtures as malodour counteractants and methods for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-08-18 EP disclosed
US-20040156742-A1 Synergistically-effective cyclohexylethan-1-yl ester mixtures as malodour counteractants as measured physiologically and psychometrically and methods for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-08-12 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 (4 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-10682533-B2 Multi-capsule compositions CAPG, GNE, RIMKLA ROCK2 3342/4885ROCK1 4172/4885LMNA 1248/4885
US-20050106192-A1 Synergistically-effective composition of zinc ricinoleate and one or more substituted monocyclic organic compounds and use thereof for preventing and/or suppressing malodors MAL2, ME1, MALT1 ROCK2 3449/4885ROCK1 3438/4885LMNA 2841/4885
US-20150132377-A1 MULTI-CAPSULE COMPOSITIONS CAPG, GNE, RIMKLA ROCK2 3342/4885ROCK1 4172/4885LMNA 1248/4885
US-20050113282-A1 Melamine-formaldehyde microcapsule slurries for fabric article freshening CHRM5, AUP1, SMS ROCK2 4358/4885ROCK1 4082/4885LMNA 809/4885

“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.