SCHEMBL116746

SCHEMBL116746

CC(C)CCOC(=O)C(O)CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
OR51E2 Q9H255 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL118298 0.88 OR51E2 (0.34) CA12CA1CA2CA9OR51E2
SCHEMBL27637407 0.85 BLM (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL5144833 0.85 BLM (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL28166478 0.84 CA1 (0.43) CA12CA1CA2CA9CYP19A1
SCHEMBL27973366 0.83 CA12 (0.42) CA12CA1CA2CA9CYP19A1
SCHEMBL29220621 0.79 CA1 (0.46) CA12CA1CA2CA9CYP19A1
SCHEMBL1241031 0.79 CA1 (0.46) CA12CA1CA2CA9CYP19A1
SCHEMBL28034 0.79 CA1 (0.46) CA12CA1CA2CA9CYP19A1
SCHEMBL296699 0.79 CYP19A1 (0.44) CA12CA1CA2CA9CYP19A1
SCHEMBL21436836 0.79 SMN1; SMN2 (0.43) CA12CA1CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320863-B1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2018-05-16 EP claimed
EP-2320855-B1 CONDITIONING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2017-12-27 EP claimed
US-20170258701-A1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2017-09-14 US claimed
US-20170112739-A1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2017-04-27 US claimed
EP-2320862-B1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2016-04-27 EP claimed
EP-2320856-B1 CONDITIONING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2015-11-11 EP claimed
US-8545827-B2 Conditioning composition for hair KAO GERMANY GMBH (DE) 2013-10-01 US claimed
US-8410037-B2 Conditioning composition for hair comprising an alkyl glyceryl ether and quaternized silicone KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2013-04-02 US claimed
US-20110165104-A1 CLEANSING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2011-07-07 US claimed
US-20110165106-A1 CLEANSING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GBMH (DE) 2011-07-07 US claimed
EP-2320855-A1 CONDITIONING COMPOSITION FOR HAIR KPSS-Kao Professional Salon Services GmbH (DE) 2011-05-18 EP claimed
EP-2320856-A1 CONDITIONING COMPOSITION FOR HAIR KPSS-Kao Professional Salon Services GmbH (DE) 2011-05-18 EP claimed
WO-2010025897-A1 CONDITIONING COMPOSITION FOR HAIR KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2010-03-11 WO claimed
WO-2010025896-A1 CONDITIONING COMPOSITION FOR HAIR KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2010-03-11 WO claimed
WO-2010025898-A1 CLEANSING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2010-03-11 WO claimed
WO-2010025895-A1 CLEANSING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2010-03-11 WO claimed
EP-2161015-A1 Conditioning composition for hair KPSS-Kao Professional Salon Services GmbH (DE) 2010-03-10 EP claimed
EP-2161014-A1 Conditioning composition for hair KPSS-Kao Professional Salon Services GmbH (DE) 2010-03-10 EP claimed
EP-2161017-A1 Cleansing composition KPSS-Kao Professional Salon Services GmbH (DE) 2010-03-10 EP claimed
EP-2161018-A1 Cleansing composition KPSS-Kao Professional Salon Services GmbH (DE) 2010-03-10 EP claimed

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-20170258701-A1 CLEANSING COMPOSITION DSG1, DEGS1, SEPTIN7 CA12 3521/4885CA1 2836/4885CA2 2545/4885
US-20110165106-A1 CLEANSING COMPOSITION KRT18, DSG1, KCNH3 CA12 2198/4885CA1 1851/4885CA2 2165/4885
US-20170112739-A1 CLEANSING COMPOSITION KRT18, DSG1, VCL CA12 2242/4885CA1 1852/4885CA2 2066/4885
US-20110165104-A1 CLEANSING COMPOSITION KRT18, DSG1, KCNH3 CA12 2138/4885CA1 1725/4885CA2 1783/4885

“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.