SCHEMBL514097

SCHEMBL514097

CC(CC([O])=O)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL26107407 0.82 CA2 (0.35) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL10045293 0.80 ALDH1A1 (0.48) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL143938 0.80 SLC22A6 (0.38) ALDH1A1TDP1
SCHEMBL82660 0.78 CYP2C19 (0.30) MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL7940858 0.78 BHMT (0.36) ALDH1A1TDP1
SCHEMBL4658903 0.78 BHMT (0.36) ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL22134457 0.78 TDP1 (0.40) ALDH1A1TDP1
SCHEMBL21315733 0.78 BHMT (0.36) ALDH1A1TDP1
SCHEMBL22396502 0.78 BHMT (0.36) ALDH1A1TDP1
SCHEMBL11801707 0.78 BHMT (0.36) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024070633-A1 OPTICAL FILM, POLARIZING PLATE, COMPOSITION FOR FORMING ALIGNMENT FILM, AND METHOD FOR PRODUCING POLARIZING PLATE 富士フイルム株式会社 2024-04-04 WO disclosed
WO-2024070641-A1 OPTICAL FILM, POLARIZING PLATE, COMPOSITION FOR ALIGNMENT FILM FORMATION, AND METHOD FOR PRODUCING POLARIZING PLATE 富士フイルム株式会社 2024-04-04 WO disclosed
WO-2024070463-A1 POLYMER AND COMPOSITION 富士フイルム株式会社 2024-04-04 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-2301519-A1 Ultraviolet absorbing composition Fujifilm Corporation (JP) 2011-03-30 EP disclosed
US-20110059033-A1 ULTRAVIOLET ABSORBING COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 US disclosed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO 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 (2 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ALDH1A1 1574/4885TDP1 3903/4885MMP1 2516/4885
US-20110059033-A1 ULTRAVIOLET ABSORBING COMPOSITION C1S, F12, TYR ALDH1A1 500/4885TDP1 3062/4885MMP1 2544/4885

“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.