SCHEMBL6659906

SCHEMBL6659906

O=C(CCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.64
CTNNB1 P35222 1/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 3/20 0.64
KMT2A Q03164 4/20 0.61
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
AGTR1 P30556 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
PTPN7 P35236 1/20 0.51
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
Phenyl Propionic Acid SCHEMBL11756556 0.96 ALDH1A1 (0.60) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL3502645 0.89 BCL9 (0.58) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL12715327 0.87 BCL9 (0.62) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL28476103 0.86 MAPT (0.59) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL16056068 0.86 BCL9 (0.65) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL16056553 0.86 BCL9 (0.61) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL16055480 0.86 BCL9 (0.61) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL17951284 0.86 KMT2A (0.78) ALDH1A1MAPTKMT2AHTTL3MBTL1
SCHEMBL16055727 0.86 BCL9 (0.61) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL5729901 0.86 BCL9 (0.65) BCL9CTNNB1ALDH1A1MAPTKMT2A

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-110156800-B Synthesis method of pyrano [3,2-b ] indole-2-ketone compound 中国药科大学 2021-11-26 CN disclosed
US-9718763-B2 Catalytic ester decarbonylation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-08-01 US disclosed
US-9718763-B2 Catalytic ester decarbonylation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-08-01 US disclosed
US-20160194276-A1 CATALYTIC ESTER DECARBONYLATION REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-07-07 US disclosed
US-20160194276-A1 CATALYTIC ESTER DECARBONYLATION REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-07-07 US disclosed
EP-0816916-B1 Photographic developing composition EASTMAN KODAK CO (US) 2004-08-11 EP disclosed
US-5942379-A HIGH SPEED DEVELOPMENT EASTMAN KODAK COMPANY (US) 1999-08-24 US disclosed
US-5780212-A DEVELOPER MIXTURE CONTAINING AS CO-DEVELOPER AN N-PHENYL-3-PYRAZOLIDINONE DERIVATIVE HAVING SOLUBILIZING GROUPS INDIRECTLY ATTACHED TO RING(S); WATER SOLUBILITY, EFFICIENCY, NONFOULING EASTMAN KODAK COMPANY (US) 1998-07-14 US disclosed
EP-0816916-A1 Photographic developing composition EASTMAN KODAK COMPANY (US) 1998-01-07 EP disclosed
EP-0098629-A1 Anti-coagulants of the 4-hydroxycoumarin type, the preparation thereof, and rodenticidal compositions (baits) comprising such anti-coagulants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-01-18 EP disclosed
US-4278762-A MEASURING HYDROLYSIS OF TRIPEPTIDE DERIVATIVES PENTAPHARM AG (CH) 1981-07-14 US disclosed
US-4190574-A CHROMOPHORE- OR FLUORESCENT-SUBSTITUTED OLIGOPEPTIDE PENTAPHARM A.G. (CH) 1980-02-26 US disclosed
US-4070245-A Substrate for the quantitative determination of proteolytic enzymes PENTAPHARM A.G. (CH) 1978-01-24 US disclosed
US-4016042-A SYNTHETIC OLIGOPEPTIDE CONTAINING A CHROMOGENIC OR FLUORESCENT GROUP SPLIT OFF BY PROTEOLYTIC ENZYMES PENTAPHARM A.G. (CH) 1977-04-05 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 (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-20160194276-A1 CATALYTIC ESTER DECARBONYLATION DECR1, C1S, CBR3 BCL9 3704/4885CTNNB1 1404/4885ALDH1A1 124/4885

“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.