SCHEMBL7077101

SCHEMBL7077101

COC(=O)C(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
MAOB P27338 4/20 0.54
MAOA P21397 2/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54

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
SCHEMBL7077102 1.00 CYP1A2 (0.58) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL10995247 0.83 CYP1A2 (0.47) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL10995248 0.83 CYP1A2 (0.47) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL28347012 0.82 CYP1A2 (0.75) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL30814554 0.82 GSK3B (0.69) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL17157605 0.82 MAOB (0.54) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL17157604 0.82 MAOB (0.54) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL10995524 0.82 ALDH1A1 (0.51) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL10995520 0.82 ALDH1A1 (0.51) CYP1A2MAOBMAOAALDH1A1MAPT
SCHEMBL2705827 0.81 ALDH1A1 (0.57) CYP1A2MAOBMAOAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586218-A Chiral octacyclic ether compound and synthetic method and application thereof 浙江工业大学 2024-02-23 CN disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US disclosed
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed
WO-2003050105-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS CHEMINOVA A/S (DK) 2003-06-19 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 (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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 CYP1A2 1700/4885MAOB 989/4885MAOA 1303/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 CYP1A2 1700/4885MAOB 989/4885MAOA 1303/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 CYP1A2 1700/4885MAOB 989/4885MAOA 1303/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 CYP1A2 1700/4885MAOB 989/4885MAOA 1303/4885

“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.