SCHEMBL2680717

SCHEMBL2680717

CCC(C)(C)C(=O)OCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP19A1 P11511 1/20 0.37
MMP8 P22894 1/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HMGCR P04035 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
CHRNB2 P17787 2/20 0.33

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
SCHEMBL14681853 0.89 CYP4F2 (0.36) CA1CA2MMP8ALDH1A1GAA
SCHEMBL17717772 0.88 TDP1 (0.41) CA12CA1CA2CA9CYP19A1
SCHEMBL10044201 0.86 HMGCR (0.37) MMP8ALDH1A1HMGCRMAPK1CYP4F2
SCHEMBL17775383 0.85 CYP4F2 (0.38) MMP8GAAKMT2AHMGCRCYP4F2
SCHEMBL18350228 0.85 ALOX15 (0.35) CA1CA2MMP8HMGCRCYP4F2
SCHEMBL12447424 0.84 TDP1 (0.33) CA12CA1CA2CA9CYP19A1
SCHEMBL14195312 0.84 HMGCR (0.38) CA2HMGCRTDP1MAPK1CYP4F2
SCHEMBL28871526 0.84 CA12 (0.39) CA12CA1CA2CA9CYP19A1
SCHEMBL9115451 0.84 CA12 (0.39) CA12CA1CA2CA9CYP19A1
SCHEMBL12602865 0.84 HMGCR (0.38) HMGCRCYP4F2CYP4A11

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
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160377980-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-29 US disclosed
US-20160377978-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-29 US disclosed
US-20160377979-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-29 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-9354514-B2 Photosensitive transparent composition for color filter of solid-state imaging device, and production method of color filter of solid-state imaging device, color filter of solid-state imaging device, and solid-state imaging device, each using the same FUJIFILM CORPORATION (JP) 2016-05-31 US disclosed
US-8663880-B2 Polymerizable composition for color filter, color filter, and solid-state imaging device FUJIFILM CORPORATION (JP) 2014-03-04 US disclosed
US-20130285182-A1 PHOTOSENSITIVE TRANSPARENT COMPOSITION FOR COLOR FILTER OF SOLID-STATE IMAGING DEVICE, AND PRODUCTION METHOD OF COLOR FILTER OF SOLID-STATE IMAGING DEVICE, COLOR FILTER OF SOLID-STATE IMAGING DEVICE, AND SOLID-STATE IMAGING DEVICE, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2013-10-31 US disclosed
US-20120249995-A1 RESIST PROTECTIVE FILM MATERIAL AND PATTERN FORMATION METHOD SHIN-ETSU CHEMICAL CO. LTD. (JP) 2012-10-04 US disclosed
US-8088537-B2 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-7642034-B2 Photoresists; (meth)acrylate fluoropolymer which is insoluble in water, dissolvable in aqueous alkaline solution, and immiscible with resist films so that it enables pattern formation by the immersion lithography SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-01-05 US disclosed
US-20090197200-A1 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20070178407-A1 Polymer, resist protective coating material, and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2007-08-02 US disclosed
US-20070122736-A1 RESIST PROTECTIVE FILM MATERIAL AND PATTERN FORMATION METHOD SHIN-ETSU CHEMICAL CO., LTD. 2007-05-31 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 CA12 4647/4885CA1 4817/4885CA2 4335/4885

“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.