SCHEMBL1870525

SCHEMBL1870525

C=CCOC(=O)CC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
CES1 P23141 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 2/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL11865429 0.88 ERCC5 (0.57) CYP3A4SMN1; SMN2PKMNPSR1ERCC5
Valine SCHEMBL16464110 0.85 SMN1; SMN2 (0.40) CYP3A4KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL11556841 0.83 ERCC5 (0.53) CYP3A4KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL16748942 0.83 PLOD2 (0.47) CYP3A4KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL9858678 0.83 MEN1 (0.49) CYP3A4KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL7668299 0.80 SMN1; SMN2 (0.46) CYP3A4KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL978354 0.80 CYP3A4 (0.53) CYP3A4KMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL9632069 0.79 GLA (0.56) CYP3A4KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL28343462 0.78 CYP3A4 (0.69) CYP3A4KMT2ASMN1; SMN2MEN1MAPK1
Benzene SCHEMBL28207781 0.78 CYP3A4 (0.69) CYP3A4KMT2ASMN1; SMN2MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687857-A Alkyl β-oxo-benzenepropanoates Uclaf, Roussel (FR) 1987-08-18 US claimed
EP-0220923-A2 Dipeptides and process W.R. Grace & Co.-Conn. (US) 1987-05-06 EP claimed
CN-111269425-B Modified MQ resin and preparation method and application thereof 浙江新安化工集团股份有限公司 2021-05-28 CN disclosed
EP-2211602-B1 LIGHTWEIGHT COMPOSITE ARTICLE WITH CONTROLLED BIODEGRADATION UNIV MAINE SYSTEM (US) 2021-02-03 EP disclosed
CN-111269425-A Modified MQ resin and preparation method and application thereof 浙江新安化工集团股份有限公司 2020-06-12 CN disclosed
US-10433543-B2 Bioactive biopolymer films and coatings TERRAVERDAE BIOWORKS INC. (CA) 2019-10-08 US disclosed
US-9951034-B2 3-ketocoumarines for LED photocuring IGM RESINS ITALIA S.R.L. (IT) 2018-04-24 US disclosed
US-20170245494-A1 BIOACTIVE BIOPOLYMER FILMS AND COATINGS TERRAVERDAE BIOWORKS INC. (CA) 2017-08-31 US disclosed
EP-2909243-B1 3-KETOCOUMARINES FOR LED PHOTOCURING IGM RESINS ITALIA SRL (IT) 2016-11-30 EP disclosed
WO-2016058096-A1 BIOACTIVE BIOPOLYMER FILMS AND COATINGS TERRAVERDAE BIOWORKS INC. (CA) 2016-04-21 WO disclosed
US-20150259316-A1 3-KETOCOUMARINES FOR LED PHOTOCURING ELIOS S.R.L. (IT) 2015-09-17 US disclosed
US-4412958-A Stereospecific synthesis of 5-phenyl-2S-pentanol PFIZER INC. (US) 1983-11-01 US disclosed
EP-0079134-A1 Stereospecific synthesis of 5-phenyl-2S-pentanol PFIZER INC. (US) 1983-05-18 EP disclosed
US-4156666-A HOMO- OR COPOLYMER OF ETHYLENE OR PROPYLENE, A DEGRADATION PROMOTER AND AN INORGANIC FILLER SHISEIDO COMPANY, LTD. (JP) 1979-05-29 US disclosed
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4115570-A CENTRAL NERVOUS SYSTEM DEPRESSANTS ISTITUTO CHEMIOTERAPICO ITALIANO, S.P.A. (IT) 1978-09-19 US disclosed
US-4088758-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 US disclosed
US-4032634-A O,O-DIALKYL-O-(1-PHENYL-2-CARBALKOXYVINYL)-THIONOPHOSPHORIC ACID ESTERS AND INSECTICIDAL AND ACARICIDAL COMPOSITIONS AND METHOD OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4024123-A TEXTILES DUSSY PAUL 1977-05-17 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 (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-20150259316-A1 3-KETOCOUMARINES FOR LED PHOTOCURING KDM3A, KMO, HCCS CYP3A4 38/4885KMT2A 330/4885HPGD 222/4885

“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.