SCHEMBL787459

SCHEMBL787459

O=C(c1ccccc1[N+](=O)[O-])C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 3/20 0.50
CTSD P07339 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
Carbamic Acid SCHEMBL25425926 0.95 CTSD (0.50) ALDH1A1LMNACTSDCES2CES1
SCHEMBL9594189 0.91 ALDH1A1 (0.47) ALDH1A1LMNACTSDCES2CES1
SCHEMBL3259212 0.88 GPR35 (0.46) ALDH1A1LMNACTSDCES2CES1
SCHEMBL9594193 0.84 LMNA (0.49) ALDH1A1LMNACTSDCES2CES1
SCHEMBL19358709 0.82 LMNA (0.42) ALDH1A1LMNACTSDCES2CES1
SCHEMBL9406620 0.82 ALDH1A1 (0.48) ALDH1A1LMNACES2CES1TSHR
SCHEMBL28752436 0.82 TDP1 (0.45) ALDH1A1LMNACES2CES1TSHR
SCHEMBL5405432 0.81 LMNA (0.49) ALDH1A1LMNACTSDCES2CES1
SCHEMBL20421241 0.81 CTSD (0.43) ALDH1A1LMNACTSDCES2CES1
SCHEMBL8842024 0.79 ALDH1A1 (0.56) ALDH1A1CTSDTSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115193463-B Method for synthesizing 4-methyl-1-pentene by propylene dimerization 中国石油天然气股份有限公司 2024-05-14 CN claimed
US-20220162255-A1 PROCESS FOR PREPARING HIGH PURITY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF CURIA SPAIN, S.A.U. (ES) 2022-05-26 US claimed
EP-3041627-A1 METAL SINTERING FILM COMPOSITIONS Henkel IP & Holding GmbH (DE) 2016-07-13 EP claimed
CN-101302228-A Rare earth aromatic carboxylic acid organic complex and preparation thereof UNIV BEIJING CHEMICAL (CN) 2008-11-12 CN claimed
CN-1931897-A Polyglycol modifier for benzoic acid/nitrobenzoic acid and its synthesis process UNIV EAST CHINA NORMAL (CN) 2007-03-21 CN claimed
US-7041234-B2 Methods for synthesis of liquid crystals SOUTHWEST RESEARCH INSTITUTE (US) 2006-05-09 US claimed
EP-1644369-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP claimed
US-20050191393-A1 Food grade natural/organic method for treating food POSTMA JAMES (US) 2005-09-01 US claimed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 US claimed
WO-2005005395-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO claimed
EP-0708794-B1 POLYMERIZATION OF CYCLIC ETHERS USING HETEROGENEOUS CATALYSTS DU PONT (US) 1999-09-22 EP claimed
US-5770678-A Polymerization of, and depolymerization to, cyclic ethers using selected metal compound catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-23 US claimed
EP-0708794-A1 POLYMERIZATION, AND DEPOLYMERIZATION, OF CYCLIC ETHERS USING HETEROGENEOUS CATALYSTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-01 EP claimed
WO-1995002625-A2 POLYMERIZATION/DEPOLYMERIZATION CATALYST FOR POLYETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-26 WO claimed
US-4826806-A CHROMOGENIC DYES SHIN NISSO KAKO CO., LTD. (JP) 1989-05-02 US claimed
US-4820344-A SOLUTION OF CORROSION AND METAL INHIBITORS, ALIPHATIC CARBOXYLIC ACIDS, POLYGLYCEROLS, ALCOHOLS, SURFACTANT FOR SMOOTHENING CAR BODIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-04-11 US claimed
EP-0081738-B1 NITRITE-FREE COOLING FLUIDS ON THE BASIS OF GLYCOLS HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-20 EP claimed
JP-63170083-A None JP disclosed
US-3972928-A Regulating plant growth with quaternary phosphonium aliphatic carboxamide salts BAYCHEM CORPORATION (US) 1976-08-03 US disclosed
US-3968085-A Polyamine compositions useful as hardening agents for epoxy resins INSTITUT FRANCAIS DU PETROLE, DES CARBURANTS ET LUBRIFIANTS (FR) 1976-07-06 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-20220162255-A1 PROCESS FOR PREPARING HIGH PURITY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF CYP17A1, CYP21A2, CYP11B1 ALDH1A1 483/4885LMNA 1757/4885CTSD 4687/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B ALDH1A1 245/4885LMNA 1382/4885CTSD 3745/4885

“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.