SCHEMBL4958995

SCHEMBL4958995

O=[N+]([O-])c1ccc2cccc(O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
GPR35 Q9HC97 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
S100A4 P26447 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TNF P01375 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL774702 0.86 TSHR (0.52) TSHRALDH1A1ALOX15GPR35LMNA
Dinitrophenylene SCHEMBL27352655 0.84 LMNA (0.59) TSHRALDH1A1ALOX15LMNASMN1; SMN2
SCHEMBL27937111 0.83 RRM1 (0.47) TSHRALDH1A1ALOX15HPGDMAPK1
Dinitrophenylene SCHEMBL27626680 0.82 PTPN11 (0.49) TSHRALDH1A1ALOX15LMNAHPGD
SCHEMBL29886001 0.81 TSHR (0.46) TSHRALDH1A1ALOX15GPR35LMNA
SCHEMBL28436674 0.81 TSHR (0.46) TSHRALDH1A1ALOX15GPR35LMNA
SCHEMBL29903883 0.81 MEN1 (0.65) TSHRALDH1A1LMNAS100A4MEN1
SCHEMBL8623371 0.81 MEN1 (0.65) TSHRALDH1A1LMNAS100A4MEN1
SCHEMBL29450699 0.81 MEN1 (0.65) TSHRALDH1A1LMNAS100A4MEN1
P-Nitrophenol SCHEMBL5573898 0.80 ESR1 (0.54) TSHRALDH1A1ALOX15GPR35LMNA

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 13 patents. 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-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO 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

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 TSHR 585/4885ALDH1A1 1045/4885ALOX15 2046/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT TSHR 4182/4885ALDH1A1 466/4885ALOX15 3484/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 TSHR 4303/4885ALDH1A1 1632/4885ALOX15 2100/4885
US-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 TSHR 1291/4885ALDH1A1 67/4885ALOX15 2572/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH TSHR 4390/4885ALDH1A1 1689/4885ALOX15 1540/4885

“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.