SCHEMBL6822295

SCHEMBL6822295

O=C1C=C(O)c2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
RNASEH1 O60930 1/20 0.48
CES1 P23141 2/20 0.47
BCHE P06276 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
MIF P14174 5/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2A6 P11509 1/20 0.43
TDP2 O95551 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL19751645 0.77 MAOA (0.52) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL14395012 0.75 MAOA (0.50) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL9321525 0.75 MAOA (0.50) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL5241115 0.75 MTNR1A (0.47) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL703737 0.75 MAOA (0.50) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL11841854 0.73 MAOA (0.48) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL10783453 0.73 MAOA (0.44) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL9145493 0.73 MAOA (0.44) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL6822134 0.70 ALDH1A1 (0.44) MAOARNASEH1CES1BCHEALDH1A1
SCHEMBL11788999 0.69 MAOA (0.48) MAOARNASEH1CES1BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20150133493-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER MEMORIAL SLOAN KETTERING CANCER CENTER 2015-05-14 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20110306605-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-15 US disclosed
EP-1214311-B1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2004-09-15 EP disclosed
EP-1214311-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
US-6296785-B1 OPHTHALMIC AND CONTACT LENSES; WINDOWS, SAFETY GLASS FOR CARS PPG INDUSTRIES OHIO, INC. 2001-10-02 US disclosed
WO-2001019813-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO 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 (4 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-20150133493-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER BACE1, PSEN1, APP MAOA 1885/4885RNASEH1 2617/4885CES1 125/4885
US-20110306605-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER BACE1, PSEN1, APP MAOA 1885/4885RNASEH1 2617/4885CES1 125/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 MAOA 2843/4885RNASEH1 2621/4885CES1 3717/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC MAOA 3061/4885RNASEH1 1839/4885CES1 4139/4885

“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.