SCHEMBL2430808

SCHEMBL2430808

CC(C)CC(=O)C(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
Chloroform SCHEMBL10779022 0.93 ALDH1A1 (0.40) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL1923143 0.85 ALDH1A1 (0.53) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL9579834 0.81 GABRR1 (0.42) TP53
SCHEMBL9127266 0.80 ALDH1A1 (0.39) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL27687487 0.79 TP53 (0.35) ALDH1A1TDP1RNPEPSLC7A5TP53
SCHEMBL4576180 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL10592711 0.76 ALDH1A1 (0.43) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL28931222 0.76 ALDH1A1 (0.43) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL6942973 0.75 GABRR1 (0.38) SLC7A5LMNA
SCHEMBL6692736 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252291-B2 Photo-curing of thermoplastic coatings COLOPLAST A/S (DK) 2019-04-09 US disclosed
CN-107459535-A Polysubstituted quinoline coordinated iridium hybrid compound and preparation method and application thereof 南京工业大学 2017-12-12 CN disclosed
EP-2049172-B1 PHOTO-CURING OF THERMOPLASTIC COATINGS COLOPLAST AS (DK) 2014-12-31 EP disclosed
US-20140363562-A1 PHOTO-CURING OF THERMOPLASTIC COATINGS COLOPLAST A/S (DK) 2014-12-11 US disclosed
US-20130289064-A1 Salts and crystall forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile NOVARTIS AG (CH) 2013-10-31 US disclosed
US-20130115466-A1 PHOTO-CURING OF THERMOPLASTIC COATINGS COLOPLAST A/S (DK) 2013-05-09 US disclosed
US-8436177-B2 Salts and crystall forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2364981-A1 SALTS AND CRYSTALLINE FORMS OF 2-METHYL-2-[4- (3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL)-PHENYL]-PROPIONITRILE Novartis AG (CH) 2011-09-14 EP disclosed
US-20100168153-A1 Salts and crystall forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile NOVARTIS AG (CH) 2010-07-01 US disclosed
US-20100119833-A1 PHOTO-CURING OF THERMOPLASTIC COATINGS MADSEN NIELS JORGEN 2010-05-13 US disclosed
EP-2094700-A2 SALTS AND CRYSTALL FORMS OF 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL)-PHENYL]-PROPIONITRILE Novartis AG (CH) 2009-09-02 EP disclosed
EP-2049172-A2 PHOTO-CURING OF THERMOPLASTIC COATINGS Coloplast A/S (DK) 2009-04-22 EP disclosed
WO-2008064093-A2 SALTS AND CRYSTAL FORMS OF 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL)-PHENYL]-PROPIONITRILE NOVARTIS AG (CH) 2008-05-29 WO disclosed
WO-2008012325-A2 PHOTO-CURING OF THERMOPLASTIC COATINGS COLOPLAST A/S (DK) 2008-01-31 WO disclosed
US-4659728-A ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1987-04-21 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 (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-20130289064-A1 Salts and crystall forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile AQP3, MB, TTR ALDH1A1 1652/4885TDP1 2183/4885CA2 63/4885
US-20100168153-A1 Salts and crystall forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile AQP3, MB, TTR ALDH1A1 1652/4885TDP1 2183/4885CA2 63/4885

“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.