SCHEMBL90480

SCHEMBL90480

CNc1ccc(N=O)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
RECQL P46063 2/20 0.39
THRB P10828 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
APP P05067 3/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CA9 Q16790 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
Hydrochloric Acid SCHEMBL15360395 0.98 ALDH1A1 (0.38) ALDH1A1HSD17B10RECQLTHRBCYP3A4
SCHEMBL3276097 0.79 PKM (0.56) ALDH1A1HSD17B10THRBCYP3A4HPGD
SCHEMBL25236772 0.77 APP (0.36) ALDH1A1HSD17B10RECQLTHRBCYP3A4
SCHEMBL21449737 0.77 IDO1 (0.39) ALDH1A1APPIDO1CYP1A2CYP2D6
SCHEMBL29203837 0.75 AURKA (0.47) HPGDKDM4EMAPTL3MBTL1NR1H4
Hydrochloric Acid SCHEMBL21436854 0.75 IDO1 (0.38) ALDH1A1APPIDO1CYP1A2CYP2D6
SCHEMBL84733 0.73 ARG1 (0.48) ALDH1A1HSD17B10RECQLTHRBCYP3A4
SCHEMBL12947851 0.73 HTT (0.40) ALDH1A1HSD17B10CYP3A4HPGDALOX15
SCHEMBL3278219 0.72 TRPA1 (0.52) ALDH1A1HSD17B10THRBTP53HPGD
Methyl Alcohol SCHEMBL27630444 0.72 EGFR (0.50) ALDH1A1HSD17B10RECQLTHRBHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107209308-A Retardation plate and circularly polarizing plate DIC株式会社 2017-09-26 CN disclosed
CN-103282800-A Birefringent lens material for stereoscopic image display device and method for manufacturing birefringent lens for stereoscopic image display device DAINIPPON INK & CHEMICALS 2013-09-04 CN disclosed
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
EP-2223971-A1 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2010-09-01 EP disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed
EP-2036953-A2 Long wavelength thiol-reactive fluorophores Becton, Dickinson & Company (US) 2009-03-18 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 (3 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-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885HSD17B10 1607/4885RECQL 1810/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885HSD17B10 1607/4885RECQL 1810/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 ALDH1A1 1435/4885HSD17B10 1607/4885RECQL 1810/4885

“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.