SCHEMBL1169849

SCHEMBL1169849

C=CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
TSHR P16473 1/20 0.52
IDO1 P14902 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1C3 P42330 1/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL11655383 0.94 CA12 (0.50) LOXL2TSHRIDO1CYP2C19CYP1A2
Bicarbonate SCHEMBL22801428 0.93 TSHR (0.50) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL28190734 0.89 BCHE (0.50) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL4768553 0.84 LOXL2 (0.52) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL483755 0.83 LOXL2 (0.59) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL9528716 0.83 LOXL2 (0.59) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL8956380 0.80 TSHR (0.58) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL7076638 0.79 CYP19A1 (0.48) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL7090996 0.79 LOXL2 (0.55) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL11473038 0.79 CYP19A1 (0.43) LOXL2TSHRCYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843969-A Composite fluorescent sensing material and preparation method and application thereof 中国石油化工股份有限公司 2024-04-09 CN claimed
CN-114534707-B Alkenyl benzene compound C=C isomerization catalyst and preparation method and application thereof 中国科学院理化技术研究所 2024-03-01 CN claimed
CN-113881418-B Alkylaniline polyether benzene sulfonate oil displacement surfactant and preparation method and application thereof 中国石油化工股份有限公司 2023-10-31 CN claimed
US-8071824-B2 Method for producing alkenylnitrobenzene derivatives unbranched in the 1′-position BAYER CROPSCIENCE AG (DE) 2011-12-06 US claimed
US-20100076229-A1 Method for Producing Alkenylnitrobenzene Derivatives Unbranched in the 1'-Position BAYER CROPSCIENCE AG (DE) 2010-03-25 US claimed
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP claimed
US-20010033814-A1 Novel solvent for the simultaneous recovery of radionuclides from liquid radioactive wastes ROMANOVSKIY VALERIY NICHOLIAVI (RU) 2001-10-25 US claimed
US-6258333-B1 EXTRACTING REAGENT COMPRISING COMPLEX ORGANOBORON COMPOUNDS, SUBSTITUTED POLYETHYLENE GLYCOLS, AND NEUTRAL ORGANOPHOSPHORUS COMPOUNDS IN DILUENT TO RECOVER CESIUM, STRONTIUM, RARE EARTHS AND ACTINIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY 2001-07-10 US claimed
US-6255542-B1 RING CHLORINATING 4-NITROALKYLBENZENE WITH CHLORINE OR CHLORING-RELEASING AGENT IN A LIQUID PHASE AND IN THE PRESENCE OF A FRIEDEL-CRAFTS CATALYST AND A DIARYL SULFIDE CO-CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2001-07-03 US claimed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP claimed
US-4931379-A ADDITION POLYMERS HAVING PENDANT ACID-LABILE GROUPS, E.G CARBONATES, AND SIDECHAINS FOR ADDED STABILITY; SEMICONDUCTORS; MICROLITHOGRAPHY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1990-06-05 US claimed
EP-0175151-B1 2,4-DICHLORO-3-ALKYL-6-NITROPHENOLS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1989-01-18 EP claimed
US-4670608-A CATALYTIC CHLORINATION OF 1-ALKYL-4-NITROBENZENE BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 US claimed
US-4587058-A Diisocyanates of the diphenyl methane series and processes for the production thereof BAYER AKTIENGESELLSCHAFT (DE) 1986-05-06 US claimed
EP-0175151-A1 2,4-Dichloro-3-alkyl-6-nitrophenols and process for their preparation BAYER AG (DE) 1986-03-26 EP claimed
EP-0046556-B1 DIISOCYANATES OR MIXTURES OF DIISOCYANATES OF THE DIPHENYLMETHANE CLASS, PROCESSES FOR THEIR PREPARATION, AS WELL AS THEIR USE AS SYNTHESIS COMPONENTS IN THE MANUFACTURE OF POLYURETHANES BY THE ISOCYANATE-POLYADDITION PROCESS BAYER AG (DE) 1983-03-09 EP claimed
EP-0046917-A1 Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process BAYER AG (DE) 1982-03-10 EP claimed
EP-0046556-A1 Diisocyanates or mixtures of diisocyanates of the diphenylmethane class, processes for their preparation, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process BAYER AG (DE) 1982-03-03 EP claimed
US-4056530-A PROCESS OF SEMICONTINUOUSLY PRODUCING ANILINE CONDENSED DYES ORIENT CHEMICAL INDUSTRIES, LTD. (JA) 1977-11-01 US claimed
US-3948969-A INDICATOR DYES LONZA LTD. (CH) 1976-04-06 US claimed

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-20100076229-A1 Method for Producing Alkenylnitrobenzene Derivatives Unbranched in the 1'-Position CYP1B1, AKR7A2, CYP1A1 LOXL2 2830/4885TSHR 3365/4885IDO1 130/4885

“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.