SCHEMBL96807

SCHEMBL96807

OCCCCSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
CA2 P00918 3/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL97656 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1CA2HDAC3HDAC4
SCHEMBL95506 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1CA2HDAC3HDAC4
SCHEMBL23014948 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1CA2HDAC3HDAC4
SCHEMBL95857 0.93 ALDH1A1 (0.64) ALDH1A1MAPK1CA2HDAC3HDAC4
SCHEMBL420011 0.88 ALDH1A1 (0.78) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL23014874 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1CA2HDAC3HDAC4
SCHEMBL28753401 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1CA2HDAC3HDAC4
SCHEMBL9670928 0.86 CA2 (0.67) ALDH1A1MAPK1CA2HDAC3HDAC4
SCHEMBL5169003 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL5167895 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021041583-A1 COMPOUNDS TO IDENTIFY BETA-LACTAMASES, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-04 WO disclosed
WO-2020140956-A1 PROCESS FOR PREPARING SULFONAMIDE COMPOUNDS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2020-07-09 WO disclosed
US-9758502-B2 Dihydropyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-9758502-B2 Dihydropyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
US-9758502-B2 Dihydropyrone compounds and herbicides comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-12 US disclosed
EP-2925736-B1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2017-01-04 EP disclosed
EP-2925736-B1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL CO (JP) 2017-01-04 EP disclosed
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 US disclosed
EP-0093010-B1 ALPHA-HYDROXYETHYLPHOSPHINATES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 EP disclosed
US-4554111-A α-Hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-11-19 US disclosed
US-4544652-A α-Hydroxyethylphosphinates, and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-01 US disclosed
EP-0093010-A2 Alpha-hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 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-20150299156-A1 DIHYDROPYRONE COMPOUNDS AND HERBICIDES COMPRISING THE SAME CBR3, DDT, WEE2 ALDH1A1 463/4885MAPK1 2384/4885CA2 641/4885

“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.