SCHEMBL10460465

SCHEMBL10460465

O=C(c1ccccc1)c1cccoc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 3/20 0.47
ATM Q13315 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
CCR6 P51684 1/20 0.47
TLR9 Q9NR96 1/20 0.47
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
CDC25B P30305 2/20 0.46
HPGD P15428 2/20 0.46
APAF1 O14727 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL259073 0.79 ALDH1A1 (0.52) AKR1C3MAPTALDH1A1TDP1PKM
SCHEMBL27581063 0.78 AKR1C3 (0.48) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL29447165 0.78 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL700595 0.78 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1TDP1
Fluoride SCHEMBL28319246 0.75 AKR1C3 (0.81) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL28883310 0.75 AKR1C3 (0.81) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL3953437 0.75 ALDH1A1 (0.73) MAPTGAAALDH1A1TDP1NPSR1
SCHEMBL29163962 0.73 AKR1C3 (0.77) AKR1C3MAPTGAAALDH1A1TDP1
Ethylene SCHEMBL27279241 0.73 AKR1C3 (0.77) AKR1C3MAPTGAAALDH1A1TDP1
SCHEMBL1981395 0.72 ALDH1A1 (0.47) MAPTALDH1A1NPSR1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085575-B2 Tri- and tetracyclic pyrazolo[3,4-B]pyridine compounds as antineoplastic agent PIERRE FABRE MEDICAMENT (FR) 2015-07-21 US disclosed
EP-2697222-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT Pierre Fabre Medicament (FR) 2014-02-19 EP disclosed
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2014-01-30 US disclosed
WO-2012140114-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2012-10-18 WO disclosed
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
EP-0127313-B1 THE PRODUCTION OF HAPLOID SEED, OF DOUBLED HAPLOIDS AND OF HOMOZYGOUS PLANT LINES THEREFROM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-07-19 EP disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
EP-0127313-A1 The production of haploid seed, of doubled haploids and of homozygous plant lines therefrom CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1984-12-05 EP disclosed
EP-0040082-B1 NOVEL SUBSTITUTED OXONICOTINATES, THEIR USE AS PLANT GROWTH REGULATORS AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1984-04-25 EP disclosed
EP-0040082-A1 Novel substituted oxonicotinates, their use as plant growth regulators and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1981-11-18 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 (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-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT TPMT, TYMP, PAICS AKR1C3 465/4885MAPT 433/4885GAA 2511/4885

“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.