SCHEMBL21186320

SCHEMBL21186320

COc1cc(OC)c(OC)cc1CCC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.67
TAAR1 Q96RJ0 2/20 0.47
GLA P06280 1/20 0.47
CYP19A1 P11511 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2A P28223 4/20 0.43
TNFSF11 O14788 1/20 0.43
HMGCR P04035 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL43254 0.87 TAAR1 (0.59) CYP3A4TAAR1GLALMNAALDH1A1
SCHEMBL30871956 0.85 CYP3A4 (0.56) CYP3A4TAAR1GLACYP19A1LMNA
SCHEMBL490437 0.85 CYP3A4 (0.56) CYP3A4TAAR1GLACYP19A1LMNA
SCHEMBL17718565 0.83 CYP4F2 (0.49) CYP3A4TAAR1ALDH1A1KDM4EMEN1
SCHEMBL7193965 0.80 CYP3A4 (0.51) CYP3A4TAAR1GLACYP19A1ALDH1A1
SCHEMBL7827237 0.80 NPSR1 (0.55) CYP3A4TAAR1LMNAHTR2AHMGCR
SCHEMBL6554363 0.80 CYP3A4 (1.00) CYP3A4TAAR1HTR2ATNFSF11MEN1
SCHEMBL2090274 0.79 NPC1 (0.58) CYP3A4CYP19A1LMNAALDH1A1SMN1; SMN2
SCHEMBL266527 0.79 NPC1 (0.58) CYP3A4LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL11077966 0.79 MTNR1A (0.62) CYP3A4TAAR1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995067-B2 Treatment of Fabry disease ACADEMIA SINICA (TW) 2021-05-04 US disclosed
US-20190225579-A1 TREATMENT OF FABRY DISEASE ACADEMIA SINICA (TW) 2019-07-25 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-20190225579-A1 TREATMENT OF FABRY DISEASE GBA2, GBA1, GAA CYP3A4 4587/4885TAAR1 2941/4885GLA 6/4885
US-10995067-B2 Treatment of Fabry disease GBA2, GBA1, GAA CYP3A4 4587/4885TAAR1 2941/4885GLA 6/4885

“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.