SCHEMBL873376

SCHEMBL873376

CCC(O)C(CC)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
HKDC1 Q2TB90 1/20 0.55
TRPA1 O75762 2/20 0.48
SLC6A2 P23975 6/20 0.46
SLC6A3 Q01959 6/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CHRM2 P08172 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP2C19 P33261 2/20 0.46
ADRA1A P35348 2/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
MAPT P10636 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL23050196 0.87 LMNA (0.54) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL28281905 0.87 LMNA (0.54) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL28973920 0.85 LMNA (0.52) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL14930795 0.85 LMNA (0.52) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL7789582 0.84 TRPA1 (0.61) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL4071581 0.83 HKDC1 (0.65) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL9480262 0.82 SLC6A2 (0.61) LMNAHKDC1SLC6A2SLC6A3CYP3A4
SCHEMBL17892871 0.82 LMNA (0.58) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL18901666 0.82 LMNA (0.58) LMNAHKDC1TRPA1SLC6A2SLC6A3
SCHEMBL1292631 0.82 LMNA (0.58) LMNAHKDC1SLC6A2SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020137775-A1 PEST REPELLENT COMPOSITION 花王株式会社 2020-07-02 WO claimed
EP-3006547-B1 FRAGRANCE-CONTAINING CAPSULE AND COSMETIC IN WHICH SAID CAPSULES ARE BLENDED SHISEIDO CO LTD (JP) 2019-10-30 EP claimed
EP-2248866-B1 FUNCTIONAL MATERIAL RELEASE AGENT KAO CORP (JP) 2013-04-03 EP claimed
WO-2020137775-A1 PEST REPELLENT COMPOSITION 花王株式会社 2020-07-02 WO disclosed
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP disclosed
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
EP-1099689-B1 Functional alcohol releasing substance KAO CORP (JP) 2005-08-03 EP disclosed
US-6586639-B2 Releasing functional alcohol in composition by formulating composition comprising betaine ester of functional alcohol KAO CORPORATION (JP) 2003-07-01 US disclosed
US-20030083513-A1 Functional alcohol releasing substance KAO CORPORATION (JP) 2003-05-01 US disclosed
US-6486333-B1 Functional alcohol releasing substance KAO CORPORATION (JP) 2002-11-26 US disclosed
EP-1099689-A2 Functional alcohol releasing substance Kao Corporation (JP) 2001-05-16 EP disclosed
US-3932355-A POLYMERIZATION IN THE PRESENCE OF A POLYETHER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-13 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-20030083513-A1 Functional alcohol releasing substance TACR2, ADH1A, ADH5 LMNA 2354/4885HKDC1 4696/4885TRPA1 458/4885

“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.