SCHEMBL2303699

SCHEMBL2303699

COc1ccc(C(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.72
CES2 O00748 2/20 0.67
CES1 P23141 2/20 0.67
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
PARP1 P09874 1/20 0.62
MTNR1B P49286 1/20 0.61
RAB9A P51151 3/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
HPGD P15428 1/20 0.59
NPC1 O15118 3/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57

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
SCHEMBL10969744 0.92 ALDH1A1 (0.68) STSCES2CES1ALDH1A1GAA
SCHEMBL31414638 0.92 CES2 (0.77) STSCES2CES1KMT2AMEN1
SCHEMBL4823687 0.92 CES2 (0.77) STSCES2CES1KMT2AMEN1
SCHEMBL755443 0.91 MEN1 (0.69) STSCES2CES1ALDH1A1KMT2A
SCHEMBL30414806 0.91 MEN1 (0.69) STSCES2CES1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27733557 0.90 CES2 (0.74) STSCES2CES1KMT2AMEN1
SCHEMBL17469588 0.90 STS (0.65) STSCES2CES1ALDH1A1GAA
SCHEMBL1992698 0.89 CYP2C8 (0.69) STSCES2CES1ALDH1A1KMT2A
SCHEMBL1986797 0.89 STS (0.64) STSCES2CES1ALDH1A1KMT2A
SCHEMBL5389255 0.89 STS (0.64) STSCES2CES1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179526-A1 NOVEL POLYMERS CONTAINING GRAFTED BIS(SULFONYL)IMIDE SODIUM OR LITHIUM SALTS, METHODS FOR PRODUCTION THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2017-06-22 US disclosed
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 EP disclosed
WO-2016012670-A1 NOVEL POLYMERS CONTAINING GRAFTED BIS(SULFONYL)IMIDE SODIUM OR LITHIUM SALTS, TO THE METHODS FOR THE PRODUCTION THEREOF, AND TO THE USES OF SAME AS ELECTROLYTES FOR BATTERIES. CDP INNOVATION (FR) 2016-01-28 WO disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 US disclosed
US-9005871-B2 Sulfonium derivatives and the use therof as latent acids BASF SE (DE) 2015-04-14 US disclosed
US-8697673-B2 Bicyclic pyridinones PFIZER INC. (US) 2014-04-15 US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 US disclosed
EP-2691393-A1 NOVEL BICYCLIC PYRIDINONES Pfizer Inc (US) 2014-02-05 EP disclosed
EP-2349993-B1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2012-12-12 EP disclosed
WO-2012131539-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2012-10-04 WO disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 US disclosed
US-20110300484-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-12-08 US disclosed
EP-2349993-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-08-03 EP disclosed
WO-2010046240-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2010-04-29 WO disclosed
US-7368068-B2 Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane JSR CORPORATION (JP) 2008-05-06 US disclosed
EP-0026991-B1 AROMATIC POLYESTER AND FILAMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-21 EP disclosed
US-4269965-A COMPRISING MONOMERS OF P-HYDROXYBENZOIC ACID, 3,4'-DIHYDROXYBENZOPHENONE OR TEREPHTHALOYLDI(3-METHYL-4-HYDROXYBENZENE, AND TEREPHTHALIC ACID; LUSTER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
EP-0026991-A1 Aromatic polyester and filaments E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-04-15 EP disclosed
US-4245082-A Polyesters derived from 3,4'-dihydroxy-benzophenones or 3-hydroxy-4'-(4-hydroxyphenyl-)benzophenone and certain aromatic dicarboxylic acids and filaments thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-13 US disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 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-20140045790-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 STS 1148/4885CES2 1350/4885CES1 1111/4885
US-20120252758-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 STS 1148/4885CES2 1350/4885CES1 1111/4885
US-20110300484-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS AHR, ARSA, TDO2 STS 695/4885CES2 2491/4885CES1 1376/4885

“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.