SCHEMBL14014136

SCHEMBL14014136

O=C1CCCc2onc(-c3ccccc3O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
TP53 P04637 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL9024154 0.83 HTR7 (0.51) BRD4ALDH1A1KDM4EHSD17B10CYP2A6
SCHEMBL1582995 0.79 HTR7 (0.46) BRD4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8781944 0.79 KMT2A (0.40) ALDH1A1MAOBNPC1RAB9AMEN1
SCHEMBL9024407 0.71 HTR2A (0.49) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9445146 0.71 HTR2A (0.50) BRD4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9024716 0.69 HTR7 (0.53) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4845045 0.68 NPC1 (0.36) ESR1ESR2ALDH1A1TSHRHPGD
SCHEMBL8789344 0.66 NPC1 (0.44) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL15328766 0.65 BRD4 (1.00) BRD4
SCHEMBL9024849 0.64 SMN1; SMN2 (0.42) BRD4ALDH1A1TSHRHPGDHSD17B10

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 7 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-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-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-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-20080058530-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-03-06 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-20080058530-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CYP1A1, CYP1A2, CYP2E1 BRD4 1391/4885ESR1 2321/4885ESR2 3601/4885

“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.