SCHEMBL301750

SCHEMBL301750

C[CH]C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 1/20 0.61
AKT1 P31749 2/20 0.58
NFE2L2 Q16236 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RECQL P46063 3/20 0.54
MAPT P10636 4/20 0.52
PLIN1 O60240 2/20 0.52
LMNA P02545 2/20 0.52
PLIN5 Q00G26 2/20 0.52
ABHD5 Q8WTS1 2/20 0.52
BCHE P06276 1/20 0.52
TNFRSF1A P19438 1/20 0.52
ACHE P22303 1/20 0.52
MAOB P27338 1/20 0.52
CYP1B1 Q16678 1/20 0.52
CES2 O00748 3/20 0.50
CES1 P23141 3/20 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
SCHEMBL3412403 0.80 RECQL (0.61) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL314324 0.80 RECQL (0.61) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL314323 0.80 RECQL (0.61) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL2954318 0.78 MAPT (0.70) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL11073619 0.78 MAPT (0.70) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL7147542 0.78 ALDH1A1 (0.67) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL2954324 0.78 MAPT (0.70) ALDH1A1TDP1MAPK1AKT1NFE2L2
SCHEMBL7701991 0.77 ALDH1A1 (0.70) ALDH1A1TDP1MEN1KMT2AMAPT
Phenylglyoxal SCHEMBL57493 0.76 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1AKT1NFE2L2
Phenylglyoxal SCHEMBL11116049 0.76 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1AKT1NFE2L2

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 1382 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP claimed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US claimed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 US claimed
US-8246754-B2 Process for removing ink from printed substrate HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-08-21 US claimed
US-5051432-A Heterocyclic 1,4 dihydropyridine derivatives GLAXO, S.P.A. (IT) 1991-09-24 US claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0079740-B1 ANTHRANILOYLOXYALKANOATES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1985-11-13 EP claimed
EP-0053017-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-20 EP claimed
US-4482561-A ANALGESICS, ANTIINFLAMMATORY AGENT, ANTICOAGULANT, AND ANTIDEPRESSANT RECORDATI, S. A., CHEMICAL & PHARMACEUTICAL CO. (CH) 1984-11-13 US claimed
EP-0079740-A1 Anthraniloyloxyalkanoates RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1983-05-25 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 US claimed
US-4000154-A 3-Substituted-6β-(amino- and acylamino)-7-oxo-1,3-diazabicyclo[3.2.0]-h SMITHKLINE CORPORATION (US) 1976-12-28 US claimed

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-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ALDH1A1 238/4885TDP1 192/4885MAPK1 2427/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885TDP1 192/4885MAPK1 2427/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD ALDH1A1 215/4885TDP1 2971/4885MAPK1 2372/4885

“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.