SCHEMBL939989

SCHEMBL939989

C=CCC1=C(O)C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.54
TDP2 O95551 1/20 0.54
DHODH Q02127 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
PKM P14618 2/20 0.50
CDC25B P30305 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CDC25A P30304 1/20 0.50
RPS6KA3 P51812 1/20 0.50
GLO1 Q04760 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
CASP3 P42574 3/20 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
SCHEMBL8942748 0.86 CASP3 (0.48) APAF1TDP2DHODHKMT2AMAPT
SCHEMBL31492702 0.82 APAF1 (0.50) APAF1TDP2DHODHKMT2AMAPT
SCHEMBL5821364 0.82 APAF1 (0.65) APAF1TDP2DHODHKMT2AMAPT
SCHEMBL12127298 0.79 DHODH (0.79) APAF1TDP2DHODHKMT2AMAPT
SCHEMBL14765285 0.79 APAF1 (0.50) APAF1TDP2DHODHKMT2AMAPT
SCHEMBL6052720 0.79 MAPT (0.51) APAF1TDP2DHODHKMT2AMAPT
Lapachol SCHEMBL157255 0.79 DHODH (0.79) APAF1TDP2DHODHKMT2AMAPT
Lapachol SCHEMBL31492698 0.79 DHODH (0.79) APAF1TDP2DHODHKMT2AMAPT
SCHEMBL9444192 0.78 APAF1 (0.46) APAF1TDP2DHODHKMT2AMAPT
SCHEMBL1520566 0.78 APAF1 (0.65) APAF1TDP2DHODHKMT2AMAPT

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076471-B2 Antimicrobial denture UNIVERSITY OF DAMMAM (SA) 2018-09-18 US claimed
US-20170367934-A1 ANTIMICROBIAL DENTURE UNIVERSITY OF DAMMAM (SA) 2017-12-28 US claimed
US-20090324682-A1 Medical stent provided with inhibitors of atp synthesis INTERSTITIAL THERAPEUTICS (CH) 2009-12-31 US claimed
EP-1789029-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION Interstitial Therapeutics (CH) 2007-05-30 EP claimed
EP-1789107-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP claimed
WO-2006024489-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2006024488-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2006024491-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
US-5225578-A 2-(1-alkylaminoalkyl)-3-hydroxy-1,4-naphthoquinone, process for its production and processes for producing 2-(1-alkenyl)-3-hydroxy-1,4-naphthoquinone and 2-alkyl-3-acyloxy-1,4-naphthoquinone by using it KAWASAKI KASEI CHEMICALS LTD. (JP) 1993-07-06 US claimed
EP-0330186-B1 2-(1-ALKYLAMINOALKYL)-3-HYDROXY-1,4-NAPHTHOQUINONE, PROCESS FOR ITS PRODUCTION AND PROCESSES FOR PRODUCING 2-(1-ALKENYL)-3-HYDROXY-1,4-NAPHTHOQUINONE AND 2-ALKYL-3-ACYLOXY-1,4-NAPHTHOQUINONE BY USING IT KAWASAKI KASEI CHEMICALS LTD. (JP) 1993-05-19 EP claimed
EP-0330186-A2 2-(1-alkylaminoalkyl)-3-hydroxy-1,4-naphthoquinone, process for its production and processes for producing 2-(1-alkenyl)-3-hydroxy-1,4-naphthoquinone and 2-alkyl-3-acyloxy-1,4-naphthoquinone by using it KAWASAKI KASEI CHEMICALS LTD. (JP) 1989-08-30 EP claimed
JP-1287058-A None JP disclosed
JP-1216952-A None JP disclosed
US-20240041702-A1 METHOD OF REDUCING BACTERIAL ACTIVITY IN THE ORAL CAVITY OF A PATIENT IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2024-02-08 US disclosed
US-11839664-B1 Denture having polished cameo surface and unpolished intaglio surface IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-12-12 US disclosed
US-4082848-A MITICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-04 US disclosed
US-4070481-A Substituted 2-higher alkyl-3-hydroxy-1,4-naphthoquinone carboxylic acid esters and their use as miticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-24 US disclosed
US-4055661-A Miticidal and aphicidal method utilizing 2-higher alkyl-3-hydroxy-1,4-naphthoquinone carboxylic acid esters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-25 US disclosed
US-4053634-A MITICIDAL AND APHICIDAL METHOD UTILIZING 2-HIGHER ALKYL-3-HYDROXY-1,4-NAPHTHOQUINONE CARBOXYLIC ACID ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-10-11 US disclosed
US-3948920-A New anti-malarial agents AKTIEBOLAGET ASTRA (SW) 1976-04-06 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 (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-20090324682-A1 Medical stent provided with inhibitors of atp synthesis ATP5ME, ATP5F1A, ATP5MG APAF1 3098/4885TDP2 4149/4885DHODH 487/4885
US-10076471-B2 Antimicrobial denture TAS2R50, TAS2R60, TAS2R20 APAF1 3716/4885TDP2 3996/4885DHODH 685/4885
US-20170367934-A1 ANTIMICROBIAL DENTURE TAS2R50, TAS2R60, TAS2R20 APAF1 3716/4885TDP2 3996/4885DHODH 685/4885

“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.