SCHEMBL118298

SCHEMBL118298

CC(C)CCCOC(=O)C(O)CO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.34
BLM P54132 1/20 0.34
GPR88 Q9GZN0 1/20 0.33
PTPN1 P18031 1/20 0.33
RARB P10826 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ACHE P22303 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
SCHEMBL116746 0.88 CA12 (0.42) OR51E2TDP1CA1CA12CA2
SCHEMBL5144833 0.85 BLM (0.46) BLMPTPN1CA1CA12CA2
SCHEMBL27637407 0.85 BLM (0.46) BLMPTPN1CA1CA12CA2
SCHEMBL1603012 0.81 BLM (0.42) BLMPTPN1RARBTDP1CA1
SCHEMBL8857039 0.81 BLM (0.40) BLMPTPN1RARBTDP1CA1
SCHEMBL115794 0.79 ALDH1A1 (0.52) TDP1NAAAACHE
SCHEMBL4675873 0.79 BLM (0.39) BLMPTPN1RARBTDP1CA1
SCHEMBL114065 0.78 NAAA (0.55) NAAAACHE
SCHEMBL4673372 0.77 BLM (0.38) BLMPTPN1RARBTDP1CA1
SCHEMBL9069149 0.76 BLM (0.40) BLMPTPN1RARBTDP1CA1

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 160 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-20110165106-A1 CLEANSING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GBMH (DE) 2011-07-07 US claimed
US-20110165104-A1 CLEANSING COMPOSITION KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (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-2320863-A1 CLEANSING COMPOSITION 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-2010025895-A1 CLEANSING COMPOSITION 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
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 OR51E2 488/4885BLM 325/4885GPR88 736/4885
US-20110165106-A1 CLEANSING COMPOSITION KRT18, DSG1, KCNH3 OR51E2 287/4885BLM 304/4885GPR88 2376/4885
US-20170112739-A1 CLEANSING COMPOSITION KRT18, DSG1, VCL OR51E2 288/4885BLM 276/4885GPR88 2292/4885
US-20110165104-A1 CLEANSING COMPOSITION KRT18, DSG1, KCNH3 OR51E2 374/4885BLM 321/4885GPR88 2633/4885

“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.