SCHEMBL1603365

SCHEMBL1603365

C=COC(=O)OCCCCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
HPGD P15428 1/20 0.52
NAAA Q02083 1/20 0.48
HCAR2 Q8TDS4 2/20 0.47
EPHX1 P07099 1/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL13786723 0.98 NAAA (0.52) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL3666982 0.98 NAAA (0.52) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL18864334 0.98 NAAA (0.52) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL10519867 0.98 NAAA (0.52) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL5537440 0.94 TSHR (0.59) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL4123603 0.90 FAAH (0.52) ATMCYP3A4TP53NPSR1FAAH
SCHEMBL4123609 0.90 FAAH (0.52) ATMCYP3A4TP53NPSR1FAAH
SCHEMBL4364910 0.90 FAAH (0.52) ATMCYP3A4TP53NPSR1FAAH
SCHEMBL284885 0.89 TSHR (0.50) TSHRHPGDNAAAHCAR2EPHX1
SCHEMBL21985904 0.89 MEN1 (0.44) TSHRHPGDNAAAHCAR2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 WO claimed
EP-3096369-B1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME LG CHEMICAL LTD (KR) 2020-10-14 EP disclosed
US-20180179499-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES LCY BIOSCIENCES INC. (CA) 2018-06-28 US disclosed
EP-3303375-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES BioAmber Inc. (US) 2018-04-11 EP disclosed
US-20170113993-A1 ORGANIC ACIDS FROM HOMOCITRATE AND HOMOCITRATE DERIVATIVES MITSUI & CO., LTD. (JP) 2017-04-27 US disclosed
EP-3155113-A2 ORGANIC ACIDS FROM HOMOCITRATE AND HOMOCITRATE DERIVATIVES Bioamber Inc. (US) 2017-04-19 EP disclosed
EP-2443486-B1 BIOMEDICAL DEVICES BAUSCH & LOMB (US) 2017-03-01 EP disclosed
WO-2016196962-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES BIOAMBER INC. (US) 2016-12-08 WO disclosed
US-20160343956-A1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME LG CHEMICAL LTD (KR) 2016-11-24 US disclosed
EP-3096369-A1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME LG Chem, Ltd. (KR) 2016-11-23 EP disclosed
US-20060084819-A1 Total synthesis of myriaporones LOSADA CARLOS D P 2006-04-20 US disclosed
US-20060019960-A1 Antitumoral analogs of ET-743 PHARMA MAR, S.A. (ES) 2006-01-26 US disclosed
CN-1229382-C Semi-synthetic process and intermediates thereof PHARMA MAR SA (ES) 2005-11-30 CN disclosed
EP-1287004-B1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCIDIN COMPOUND PHARMA MAR SA (ES) 2005-07-27 EP disclosed
EP-1280809-B1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR SA (ES) 2005-07-06 EP disclosed
EP-1496060-A1 Antitumoral analogs of ET-743 PHARMA MAR, S.A. (ES) 2005-01-12 EP disclosed
EP-1185536-B1 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR SA (ES) 2004-11-24 EP disclosed
EP-1289999-B1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR SA (ES) 2004-11-17 EP disclosed
CN-1360588-A Hemisynthetic method and intermediate thereof PHARMA MAR SA (ES) 2002-07-24 CN disclosed
US-6342349-B1 A SOLID SUPPORT SUBSTRATE CONTAINING A CLEAVABLE SIGNAL ELEMENT, A SIGNAL RESPONSIVE MOIETY AND A CLEAVABLE SPACER; ANALYTES BIND THE SIGNAL ELEMENT, ANCHORING THE RESPONSIVE MOIETY TO THE ELEMENT SUBSTRATE-ATTACHING END AFTER CLEAVAGE BURSTEIN TECHNOLOGIES, INC. 2002-01-29 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 (5 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-20180179499-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES COASY, ADSL, ALAD TSHR 3786/4885HPGD 1155/4885NAAA 32/4885
US-20060084819-A1 Total synthesis of myriaporones CBR3, CBR1, SRR TSHR 1240/4885HPGD 2786/4885NAAA 2995/4885
US-20160343956-A1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME DSG1, VCL, SUN2 TSHR 4583/4885HPGD 4376/4885NAAA 4847/4885
US-20060019960-A1 Antitumoral analogs of ET-743 ETV1, ETV6, ETF1 TSHR 2288/4885HPGD 1408/4885NAAA 4035/4885
US-20170113993-A1 ORGANIC ACIDS FROM HOMOCITRATE AND HOMOCITRATE DERIVATIVES HOGA1, FABP4, HAGH TSHR 4663/4885HPGD 311/4885NAAA 429/4885

“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.