SCHEMBL506668

SCHEMBL506668

O=[N+]([O-])c1ccccc1C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
ALDH1A1 P00352 6/20 0.56
TSHR P16473 2/20 0.54
GPR35 Q9HC97 2/20 0.50
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PLAU P00749 1/20 0.44
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CTSD P07339 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
SCHEMBL3697952 0.89 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL5583438 0.88 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL31633570 0.88 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL8521008 0.87 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL31014201 0.87 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL15111049 0.86 ALDH1A1 (0.61) CYP1A2ALDH1A1TSHRGPR35TDP1
SCHEMBL9489211 0.84 GAA (0.47) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL6256628 0.83 ALDH1A1 (0.57) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL10230494 0.83 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRGPR35HSD17B10
SCHEMBL14436535 0.83 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRGPR35HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US claimed
EP-0277555-B1 COPOLYMERS WITH 0-NITROCARBINOL ESTER GROUPS, AND PROCESS FOR PREPARING TWO-LAYER RESISTS AND SEMICONDUCTOR DEVICES BASF Aktiengesellschaft (DE) 1992-04-08 EP claimed
US-4808682-A BLEND WITH OLEFINICALLY UNSATURATED SILICON COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1989-02-28 US claimed
EP-0101976-B1 NEGATIVE PROCESS FOR OBTAINING RELIEF OR RESIST PATTERNS BASF Aktiengesellschaft (DE) 1987-01-21 EP claimed
EP-0101587-B1 POSITIVE PROCESS FOR OBTAINING RELIEF OR RESIST PATTERNS BASF Aktiengesellschaft (DE) 1987-01-21 EP claimed
EP-0101586-B1 PROCESS FOR THE MANUFACTURE OF PLATES FOR INTAGLIO PRINTING USING PLASTIC PRINTING FOILS BASF Aktiengesellschaft (DE) 1986-11-12 EP claimed
US-4596759-A Base layer, solid positive working resist consisting of two layers with different solubilities, photosensitive component containing aromatic o-nitrocarbinol esters BASF AKTIENGESELLSCHAFT (DE) 1986-06-24 US claimed
US-4565771-A Production of gravure printing plates having plastic printing layers BASF AKTIENGESELLSCHAFT (DE) 1986-01-21 US claimed
US-4465760-A Production of relief images or resist images by a negative-working method BASF AKTIENGESELLSCHAFT (DE) 1984-08-14 US claimed
US-4456679-A Production of relief images or resist images by a positive-working method BASF AKTIENGESELLSCHAFT (DE) 1984-06-26 US claimed
EP-0101976-A2 Negative process for obtaining relief or resist patterns BASF Aktiengesellschaft (DE) 1984-03-07 EP claimed
EP-0101587-A2 Positive process for obtaining relief or resist patterns BASF Aktiengesellschaft (DE) 1984-02-29 EP claimed
EP-0101586-A2 Process for the manufacture of plates for intaglio printing using plastic printing foils BASF Aktiengesellschaft (DE) 1984-02-29 EP claimed
US-8263797-B2 Method for producing cyclopropane carboxylic acid compound and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-11 US disclosed
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed
US-20100280267-A1 METHOD FOR PRODUCING CYCLOPROPANE CARBOXYLIC ACID COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-4465760-A Production of relief images or resist images by a negative-working method BASF AKTIENGESELLSCHAFT (DE) 1984-08-14 US disclosed
US-4456679-A Production of relief images or resist images by a positive-working method BASF AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
EP-0101976-A2 Negative process for obtaining relief or resist patterns BASF Aktiengesellschaft (DE) 1984-03-07 EP disclosed
EP-0101587-A2 Positive process for obtaining relief or resist patterns BASF Aktiengesellschaft (DE) 1984-02-29 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 (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-20100280267-A1 METHOD FOR PRODUCING CYCLOPROPANE CARBOXYLIC ACID COMPOUND AND INTERMEDIATE THEREFOR FAR1, CYP51A1, CYP4A11 CYP1A2 222/4885ALDH1A1 199/4885TSHR 1501/4885
US-20120029226-A1 METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES GRIA1, GRIA3, GRIA2 CYP1A2 321/4885ALDH1A1 101/4885TSHR 1136/4885

“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.