SCHEMBL4846520

SCHEMBL4846520

CCOC(=O)C1C(=O)CC(=O)CC1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
ALOX12 P18054 1/20 0.56
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 3/20 0.37
TLR4 O00206 1/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL8502739 0.98 ALDH1A1 (0.54) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL6545133 0.84 ALDH1A1 (0.42) ALDH1A1ALOX12KMT2AKDM4EHPGD
SCHEMBL6545071 0.81 ALDH1A1 (0.51) ALDH1A1ALOX12KMT2AMAPTHSD17B10
SCHEMBL28420809 0.81 ALDH1A1 (0.56) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL8953203 0.79 MAPK1 (0.53) ALDH1A1ALOX12GAA
SCHEMBL9815379 0.79 ALDH1A1 (0.47) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL7127925 0.77 ALDH1A1 (0.50) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL1782540 0.77 ALDH1A1 (0.40) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL1262342 0.76 ALDH1A1 (0.41) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL680912 0.76 ALDH1A1 (0.41) ALDH1A1ALOX12MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484325-B1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2014-06-18 EP disclosed
US-20100204321-A1 Antitussive and Bronchodilator uses for enaminone ester KUWAIT UNIVERSITY (KW) 2010-08-12 US disclosed
US-7453001-B2 Such as, ethyl 3-(2-hydroxyphenyl)-6-methyl4-oxo4,5,6,7-tetrahydrobenzo[d]isoxazole-5-carboxylate; intermediates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-18 US disclosed
US-7342036-B2 Isoxazole derivatives and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-03-11 US disclosed
US-20080058530-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-03-06 US disclosed
US-20050026978-A1 Isoxazole derivatives and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-02-03 US disclosed
EP-1484325-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Agency (JP) 2004-12-08 EP disclosed
EP-1027055-B1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2004-01-07 EP disclosed
EP-1027055-A4 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES UNIV HOWARD (US) 2001-12-05 EP disclosed
EP-1027055-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4(10H)-ONE DERIVATIVES HOWARD UNIVERSITY (US) 2000-08-16 EP disclosed
US-5994349-A ANTIEPILEPTIC AGENTS HOWARD UNIVERSITY (US) 1999-11-30 US disclosed
WO-1999021560-A1 3-CARBOALKOXY-2,3-DIHYDRO-1H-PHENOTHIAZIN-4[10H]-ONE DERIVATIVES HOWARD UNIVERSITY (US) 1999-05-06 WO disclosed
US-5580894-A NERVOUS SYSTEM DISORDERS HOWARD UNIVERSITY (US) 1996-12-03 US disclosed
US-4607120-A A OMATIZATION SOCIETE ANONYME ROURE BERTRAND DUPONT (FR) 1986-08-19 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 (2 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-20050026978-A1 Isoxazole derivatives and process for producing the same CYP1A1, CYP1A2, CYP2E1 ALDH1A1 67/4885ALOX12 382/4885MEN1 2139/4885
US-20080058530-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CYP1A1, CYP1A2, CYP2E1 ALDH1A1 67/4885ALOX12 382/4885MEN1 2139/4885

“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.