SCHEMBL2997885

SCHEMBL2997885

CCCCC(C)(NC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.50
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.37
AKR1B1 P15121 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL30410707 0.81 NAALAD2 (0.47) NAALAD2ALDH1A1MEN1KMT2AMAPT
SCHEMBL30478050 0.79 NAALAD2 (0.42) NAALAD2ALDH1A1MEN1KMT2AMAPT
SCHEMBL13544391 0.79 NAALAD2 (0.47) NAALAD2ALDH1A1MEN1KMT2ATHRB
SCHEMBL5607969 0.79 NAALAD2 (0.47) NAALAD2ALDH1A1MEN1KMT2ATHRB
SCHEMBL25379547 0.78 CTSK (0.43) NAALAD2MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6383867 0.78 NAALAD2 (0.41) NAALAD2ALDH1A1MEN1KMT2AMAPT
SCHEMBL1812375 0.78 MAPT (0.59) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL3902185 0.78 ALDH1A1 (0.53) NAALAD2ALDH1A1MEN1KMT2AGPR84
SCHEMBL22905385 0.78 CTSK (0.43) NAALAD2MEN1KMT2ATDP1
SCHEMBL28177271 0.78 CTSK (0.43) NAALAD2MEN1KMT2ATDP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069355-A Microemulsion concentrates with amphoteric surfactant 巴斯夫欧洲公司 2018-12-21 CN disclosed
CN-107641284-A A kind of ABS composite material with long-acting mosquito-driving effect and preparation method thereof 合肥会通新材料有限公司 2018-01-30 CN disclosed
CN-107075429-A Include the fiber carrier of the particle containing part aqueous activating agent, particle, and the method for producing the particle 萨特隆股份公司 2017-08-18 CN disclosed
CN-103702559-B Polyacrylate-based active compound-comprising particles 拜耳知识产权有限责任公司 2017-02-15 CN disclosed
CN-101267801-B Cosmetic oil substances COGNIS IP MAN GMBH 2012-03-21 CN disclosed
US-20100183529-A1 Cosmetic compositions comprising photostabilized dibenzoylmethane compounds and 2-pyrrolidinone-4- carboxy esters L'OREAL (FR) 2010-07-22 US disclosed
CN-101267801-A Cosmetic oil substances COGNIS IP MAN GMBH (DE) 2008-09-17 CN disclosed
CN-101065097-A Pulverulent cosmetic formulation having a high water content DEGUSSA (DE) 2007-10-31 CN disclosed
CN-1886113-A Brushable cosmetic preparation with high moisture content DEGUSSA (DE) 2006-12-27 CN disclosed
US-6120780-A THICKENING, GELATION L'OREAL (FR) 2000-09-19 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-20100183529-A1 Cosmetic compositions comprising photostabilized dibenzoylmethane compounds and 2-pyrrolidinone-4- carboxy esters CYP1B1, C1S, DDT NAALAD2 3260/4885ALDH1A1 305/4885MEN1 1192/4885

“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.