SCHEMBL116798

SCHEMBL116798

CC(C)(C)OC(=O)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
PRKCA P17252 1/20 0.35
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6269635 0.86 OR51E2 (0.40) OR51E2TDP1PRKCARBP4
SCHEMBL12216419 0.82 TDP1 (0.36) TDP1KMT2ALMNADGAT1CYP2D6
SCHEMBL23151999 0.81 TDP1 (0.44) TDP1KMT2ALMNANOS1NOS3
SCHEMBL473139 0.81 TSHR (0.36)
SCHEMBL1485462 0.81 TSHR (0.36)
SCHEMBL473223 0.81 TSHR (0.36)
SCHEMBL2467809 0.80 OR51E2 (0.36) OR51E2TDP1KMT2ALMNAPRKCA
SCHEMBL27493572 0.80 TDP1 (0.47) TDP1KMT2ALMNANOS1NOS3
SCHEMBL5667907 0.79 NOS1 (0.35) KMT2ALMNADGAT1CYP2D6CA1
SCHEMBL6799320 0.79 NOS1 (0.35) KMT2ALMNADGAT1CYP2D6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106139159-B Application of polyethylene glycol derivative-small molecule drug conjugate polymer micelle in inflammation targeted drug delivery system 四川大学 2020-03-27 CN claimed
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
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 (3 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 488/4885TDP1 1558/4885KMT2A 842/4885
US-20170112739-A1 CLEANSING COMPOSITION KRT18, DSG1, VCL OR51E2 288/4885TDP1 2203/4885KMT2A 392/4885
US-20110165104-A1 CLEANSING COMPOSITION KRT18, DSG1, KCNH3 OR51E2 374/4885TDP1 2326/4885KMT2A 238/4885

“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.