SCHEMBL4959291

SCHEMBL4959291

O=C1OC(=O)c2c([N+](=O)[O-])c1cc1ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HNF4A P41235 3/20 0.41
CASP6 P55212 1/20 0.41
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
S100A4 P26447 1/20 0.38
CES1 P23141 1/20 0.37
HPRT1 P00492 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NQO1 P15559 1/20 0.36

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
SCHEMBL9621304 0.88 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRTDP1HNF4A
SCHEMBL3855976 0.78 CASP6 (0.54) CYP3A4ALDH1A1TSHRTDP1HNF4A
SCHEMBL579452 0.75 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1HNF4A
SCHEMBL4958869 0.73 ALOX5 (0.43) ALDH1A1TSHRTDP1ALOX5MEN1
SCHEMBL5457121 0.73 ALOX5 (0.43) TSHRTDP1ALOX5MEN1KMT2A
SCHEMBL4960173 0.73 ALOX5 (0.43) TDP1ALOX5MEN1KMT2ACES1
SCHEMBL10880492 0.73 NQO1 (0.51) TDP1ALOX5MEN1KMT2ACES1
SCHEMBL4960206 0.73 ALOX5 (0.43) TDP1ALOX5MEN1KMT2ACES1
SCHEMBL9077637 0.73 ALDH1A1 (0.51) CYP3A4ALDH1A1TSHRTDP1HNF4A
SCHEMBL1270411 0.72 ALOX5 (0.56) ALDH1A1ALOX5LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
EP-0033394-B1 MOLDING COMPOSITION CONSISTING OF POLY(ARYLETHER) RESINS AND POLYETHERIMIDE RESINS UNION CARBIDE CORPORATION (US) 1984-04-11 EP disclosed
EP-0097969-A1 A plasticized thermoplastic polymer AMOCO CORPORATION (US) 1984-01-11 EP disclosed
EP-0010994-B1 PROCESS FOR PRODUCING SUBSTITUTED NAPHTHALIC ACID COMPOUNDS BRENT CHEMICALS INTERNATIONAL PLC (GB) 1983-04-20 EP disclosed
US-4371694-A DENITRATION, AMINATION BRENT CHEMICALS INTERNATIONAL LIMITED (GB) 1983-02-01 US disclosed
US-4293670-A CRACK RESISTANCE, MOLDING MATERIALS UNION CARBIDE CORPORATION (US) 1981-10-06 US disclosed
EP-0033394-A1 Molding composition consisting of poly(arylether) resins and polyetherimide resins UNION CARBIDE CORPORATION (US) 1981-08-12 EP disclosed
EP-0033011-A1 Polyarylate blends with polyetherimides UNION CARBIDE CORPORATION (US) 1981-08-05 EP disclosed
US-4250279-A MOLDING MATERIALS UNION CARBIDE CORPORATION (US) 1981-02-10 US disclosed
WO-1980000963-A1 AROMATIC COMPOUNDS AND THEIR MANUFACTURE BRENT CHEMICALS INT (GB) 1980-05-15 WO disclosed
EP-0010994-A1 Process for producing substituted naphthalic acid compounds BRENT CHEMICALS INTERNATIONAL PLC (GB) 1980-05-14 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 (5 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR CYP3A4 3929/4885ALDH1A1 1045/4885TSHR 585/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT CYP3A4 2241/4885ALDH1A1 466/4885TSHR 4182/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 CYP3A4 2753/4885ALDH1A1 1632/4885TSHR 4303/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 CYP3A4 1173/4885ALDH1A1 67/4885TSHR 1291/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH CYP3A4 4242/4885ALDH1A1 1689/4885TSHR 4390/4885

“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.