SCHEMBL3213693

SCHEMBL3213693

COc1ccccc1NCCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CHRM2 P08172 1/20 0.55
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL30063371 1.00 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CHRM2LMNA
SCHEMBL2677328 0.90 CHRM2 (0.60) ALDH1A1HPGDHSD17B10CHRM2LMNA
SCHEMBL19974750 0.88 CHRM2 (0.57) ALDH1A1CHRM2KMT2AMEN1POLB
SCHEMBL8198934 0.88 APEX1 (0.56) ALDH1A1HPGDHSD17B10CHRM2LMNA
SCHEMBL5656607 0.88 CHRM2 (0.66) ALDH1A1CHRM2LMNAKMT2AMEN1
SCHEMBL12851808 0.87 CHRM2 (0.55) ALDH1A1CHRM2TDP1KMT2AMEN1
SCHEMBL28316802 0.85 MAPT (0.55) ALDH1A1HSD17B10CHRM2LMNAKMT2A
SCHEMBL11592585 0.84 LMNA (0.49) ALDH1A1CHRM2LMNATDP1KMT2A
SCHEMBL3210116 0.84 CYP2C19 (0.67) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL29557428 0.83 POLB (0.56) ALDH1A1CHRM2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101058558-A 4-Oxy-1(4H)-quinoline carboxylic acids compound and composition with aldose reductase inhibition activity and preparation method thereof UNIV SHENYANG PHARMACEUTICAL (CN) 2007-10-24 CN claimed
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-10-24 US disclosed
EP-4419529-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-109503478-B 2, 3-dihydro-1H-quinoline-4-ketone thiosemicarbazone derivative and preparation method and application thereof 岭南师范学院 2020-04-24 CN disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
CN-109503478-A 2,3- dihydro -1H- quinolin-4-one thiosemicarbazone derivative and its preparation method and application 岭南师范学院 2019-03-22 CN disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
CN-101058558-A 4-Oxy-1(4H)-quinoline carboxylic acids compound and composition with aldose reductase inhibition activity and preparation method thereof UNIV SHENYANG PHARMACEUTICAL (CN) 2007-10-24 CN disclosed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 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 (6 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1501/4885HPGD 1474/4885HSD17B10 1123/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885HPGD 1156/4885HSD17B10 2290/4885
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2865/4885HPGD 1650/4885HSD17B10 3418/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885HPGD 2394/4885HSD17B10 2725/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885HPGD 1299/4885HSD17B10 1334/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885HPGD 1205/4885HSD17B10 2146/4885

“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.