SCHEMBL5323634

SCHEMBL5323634

CC(C)=CCC/C(C)=C/C=N/O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
PGR P06401 1/20 0.53
MAPT P10636 2/20 0.52
UGT1A1 P22309 1/20 0.52
SQLE Q14534 6/20 0.50
ATM Q13315 1/20 0.48
POLB P06746 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
SCHEMBL15257167 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL5323637 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL3274058 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL15255046 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL13870979 0.96 KMT2A (0.67) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL3275116 0.96 KMT2A (0.67) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL30096335 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL15257168 0.82 KDM4E (0.44) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL28575170 0.80 NR1I2 (0.76) ALDH1A1KMT2AKDM4EMEN1CYP3A4
SCHEMBL25396940 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725782-B1 NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO (JP) 2022-06-22 EP disclosed
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-04-13 US disclosed
US-20210047280-A1 NOVEL METHOD FOR PRODUCING 5, 5-DISUBSTITUTED-4, 5-DIHYDROISOXAZOLE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2021-02-18 US disclosed
EP-3725782-A1 NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE Kumiai Chemical Industry Co., Ltd. (JP) 2020-10-21 EP disclosed
EP-2825661-B1 PROCESS FOR PREPARING TERPENE NITRILES FROM TERPENE OXIMES EMPLOYING AN ALDOXIME DEHYDRATASE BASF SE (DE) 2016-05-18 EP disclosed
US-9080191-B2 Method for biocatalytic production of nitriles from oximes and oxime dehydratases usable therein BASF SE (DE) 2015-07-14 US disclosed
US-9080191-B2 Method for biocatalytic production of nitriles from oximes and oxime dehydratases usable therein BASF SE (DE) 2015-07-14 US disclosed
US-9080191-B2 Method for biocatalytic production of nitriles from oximes and oxime dehydratases usable therein BASF SE (DE) 2015-07-14 US disclosed
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US disclosed
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2013-10-10 US disclosed
US-20130244298-A1 METHOD FOR BIOCATALYTIC PRODUCTION OF NITRILES FROM OXIMES AND OXIME DEHYDRATASES USABLE THEREIN BASF SE (DE) 2013-09-19 US disclosed
US-20130244298-A1 METHOD FOR BIOCATALYTIC PRODUCTION OF NITRILES FROM OXIMES AND OXIME DEHYDRATASES USABLE THEREIN BASF SE (DE) 2013-09-19 US disclosed
US-20130244298-A1 METHOD FOR BIOCATALYTIC PRODUCTION OF NITRILES FROM OXIMES AND OXIME DEHYDRATASES USABLE THEREIN BASF SE (DE) 2013-09-19 US disclosed
WO-2012034232-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS NEUROQUEST INC. (CA) 2012-03-22 WO disclosed
US-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure BEIERSDORF AG (DE) 2009-04-09 US disclosed
US-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure BEIERSDORF AG (DE) 2009-04-09 US disclosed
WO-2005102252-A9 SKIN AND/OR HAIR PRODUCTS, CONTAINING COMPOUNDS WITH AN ISOPRENOID STRUCTURE BEIERSDORF AG (DE) 2007-01-11 WO disclosed
WO-2005102252-A9 SKIN AND/OR HAIR PRODUCTS, CONTAINING COMPOUNDS WITH AN ISOPRENOID STRUCTURE BEIERSDORF AG (DE) 2007-01-11 WO disclosed
US-5892092-A BY DEHYDRATION OF THE CORRESPONDING OXIME BASF AKTIENGESELLSCHAFT (DE) 1999-04-06 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 (4 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-20210047280-A1 NOVEL METHOD FOR PRODUCING 5, 5-DISUBSTITUTED-4, 5-DIHYDROISOXAZOLE CYP3A5, CYP4X1, SQLE ALDH1A1 185/4885KMT2A 3360/4885KDM4E 2024/4885
US-10975041-B2 Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole CYP3A5, CYP4X1, SQLE ALDH1A1 149/4885KMT2A 2989/4885KDM4E 1721/4885
US-20130267571-A1 TERPENOID ANALOGUES AND USES THEREOF FOR TREATING NEUROLOGICAL CONDITIONS PMP22, PTGES, GGPS1 ALDH1A1 1584/4885KMT2A 3842/4885KDM4E 3901/4885
US-20090092642-A1 Skin and/or Hair Products, Containing Compounds With an Isoprenoid Structure SRD5A2, SRD5A1, CUTA ALDH1A1 2012/4885KMT2A 3935/4885KDM4E 2169/4885

“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.