SCHEMBL874956

SCHEMBL874956

CCCCCOC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
TSHR P16473 4/20 0.63
MAPK1 P28482 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
CYP3A4 P08684 2/20 0.63
TP53 P04637 1/20 0.56
LMNA P02545 1/20 0.54
CETP P11597 3/20 0.53
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL8210492 0.98 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL27430111 0.98 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1840794 0.98 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL5681521 0.98 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1836597 0.98 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1841908 0.98 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1L3MBTL1
Formaldehyde SCHEMBL28519442 0.97 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1TDP1L3MBTL1
Formaldehyde SCHEMBL28519397 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1TDP1L3MBTL1
Formaldehyde SCHEMBL28521535 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL1836932 0.95 ALDH1A1 (0.69) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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 125 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-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3096369-B1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME LG CHEMICAL LTD (KR) 2020-10-14 EP disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 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
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP 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
CN-1211386-C Antitumoral analogue of Et-743 PHARMA MAR SA (ES) 2005-07-20 CN 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-1440414-A synthetic method for producing ecteinascidin compounds PHARMA MAR SA (ES) 2003-09-03 CN 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 (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-20180179499-A1 BIOBASED PRODUCTION OF FUNCTIONALIZED ALPHA-SUBSTITUTED ACRYLATES AND C4-DICARBOXYLATES COASY, ADSL, ALAD ALDH1A1 157/4885TSHR 3786/4885MAPK1 3810/4885

“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.