SCHEMBL1491311

SCHEMBL1491311

O=[N+]([O-])OCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PIN1 Q13526 2/20 0.44
CYP19A1 P11511 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
IDO1 P14902 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR1 O14842 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL8957443 0.89 TSHR (0.42) CA1CA2CA9CA12IDO1
SCHEMBL8957396 0.88 IDO1 (0.52) CA1CA2CA9CYP19A1CA12
SCHEMBL6752122 0.86 IDO1 (0.46) CA1CA2CA9CA12IDO1
SCHEMBL17966102 0.85 CA12 (0.46) CA1CA2CA9TDP1CA12
SCHEMBL17966112 0.85 CA12 (0.46) CA1CA2CA9TDP1CA12
SCHEMBL7591237 0.85 CA12 (0.46) CA1CA2CA9TDP1CA12
SCHEMBL600669 0.85 CA12 (0.46) CA1CA2CA9TDP1CA12
SCHEMBL5150726 0.80 ACHE (0.42) CYP19A1NPC1RAB9A
SCHEMBL13738263 0.80 TAAR1 (0.42) CA1CA2CA9CYP19A1CA12
SCHEMBL22227479 0.80 CA12 (0.36) CA1CA2CA9PIN1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109126823-A Nitrobenzene selective hydrogenation prepares the catalyst and preparation method, application of aniline 江西理工大学 2019-01-04 CN claimed
CN-109053453-A A kind of synthetic method of α-o-nitrophenylethanol 江苏师范大学 2018-12-21 CN claimed
CN-107537565-A Cross linked amphoteric polymeric supported precious metal catalyst and preparation and alcohol method for oxidation 中国科学院大连化学物理研究所 2018-01-05 CN claimed
CN-105363394-B A kind of preparation and application of the magnetic fluorescence molecular engram nanoparticle for detecting nitrobenzene 济南大学 2017-11-07 CN claimed
EP-0689435-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1996-01-03 EP claimed
WO-1994021248-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1994-09-29 WO claimed
WO-2025007135-A9 CONTROLLED GLYCAN METABOLIC ENGINEERING SYSTEMS AND APPLICATIONS THEREOF WAYNE STATE UNIVERSITY (US) 2025-03-27 WO disclosed
WO-2025007135-A2 CONTROLLED GLYCAN METABOLIC ENGINEERING SYSTEMS AND APPLICATIONS THEREOF WAYNE STATE UNIVERSITY (US) 2025-01-02 WO disclosed
WO-2021109336-A1 METHOD FOR SIMULTANEOUSLY DETERMINING NITROGEN AND OXYGEN ISOTOPIC COMPOSITION OF NATURAL NITRATE AND NITROGEN AND OXYGEN ISOTOPIC COMPOSITION OF NATURAL NITRITE 陕西科技大学 2021-06-10 WO disclosed
US-10724036-B2 System and method for reversible photo-controlled gene silencing UNIVERSITY OF ONTARIO INSTITUTE OF TECHNOLOGY (CA) 2020-07-28 US disclosed
CN-105696017-B A kind of new technique method of iron reduction nitrobenzene 盐城工学院 2019-05-03 CN disclosed
CN-106748753-B The method of ethyl alcohol ethyl acetate coproduction arylamine 江苏扬农化工集团有限公司 2019-04-12 CN disclosed
CN-109516945-A A kind of preparation method of 5- methoxy-Indole 嘉兴市秀洲区洪合镇中学 2019-03-26 CN disclosed
US-20060118002-A1 Organoclay composition containing quat mixtures SUD-CHEMIE INC. 2006-06-08 US disclosed
EP-1015623-A1 DRUG DISCOVERY USING MULTIPLE MEMBRANE MIMETIC AFFINITIES PURDUE RESEARCH FOUNDATION (US) 2000-07-05 EP disclosed
WO-1999010522-A1 DRUG DISCOVERY USING MULTIPLE MEMBRANE MIMETIC AFFINITIES PURDUE RESEARCH FOUNDATION (US) 1999-03-04 WO disclosed
US-5186747-A Free-flowing dry powder blends of 1,2-propylene carbonate and finely divided amorphous silica UNITED CATALYSTS INC. (US) 1993-02-16 US disclosed
EP-0506130-A1 Organophilic clays preactivated with propylene carbonate United Catalysts Incorporated (US) 1992-09-30 EP disclosed
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP 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-10724036-B2 System and method for reversible photo-controlled gene silencing RTCB, CRY1, NSUN3 CA1 3801/4885CA2 3885/4885CA9 2871/4885

“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.