SCHEMBL6450099

SCHEMBL6450099

COc1ccc(C(C)=O)c(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 2/20 0.61
KDM4E B2RXH2 2/20 0.61
NPC1 O15118 1/20 0.61
GAA P10253 1/20 0.61
HDAC8 Q9BY41 1/20 0.58
MAPT P10636 4/20 0.58
CYP2C19 P33261 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP2C9 P11712 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
KMT2A Q03164 1/20 0.58
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
CYP3A4 P08684 1/20 0.55

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
SCHEMBL29369517 0.91 MAOB (0.78) MAOBSMN1; SMN2MAPTCYP2C19L3MBTL1
SCHEMBL384341 0.91 MAOB (0.78) MAOBSMN1; SMN2MAPTCYP2C19L3MBTL1
SCHEMBL10797158 0.90 MAOB (0.72) MAOBSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL8888358 0.90 LRRK2 (0.63) MAOBSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL6404086 0.90 HDAC8 (0.60) MAOBSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL31550547 0.90 HDAC8 (0.60) MAOBSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL1962771 0.87 MAOB (0.64) MAOBSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL11557673 0.87 KDM4E (0.60) MAOBSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL5228333 0.87 HDAC8 (0.57) MAOBSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL29466867 0.87 MAOB (0.68) MAOBSMN1; SMN2KDM4EMAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139366-A1 BRARTEMICIN ANALOGUES VICTORIA LINK LIMITED (NZ) 2023-05-04 US disclosed
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20230139366-A1 BRARTEMICIN ANALOGUES RXFP1, RXFP2, RXFP4 MAOB 4572/4885SMN1; SMN2 3927/4885RAB9A 1030/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC MAOB 1228/4885SMN1; SMN2 4633/4885RAB9A 2483/4885

“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.