SCHEMBL10025795

SCHEMBL10025795

CC1(C)CC(=O)c2cnc(NCCc3ccccc3)nc2C1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
MAOA P21397 2/20 0.65
MAOB P27338 2/20 0.65
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
GRM5 P41594 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL10025789 0.89 MAOA (0.70) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL10025785 0.79 MAOA (1.00) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL10025796 0.79 ALDH1A1 (0.65) ALDH1A1MAOBNPC1RAB9AGRM5
SCHEMBL10025786 0.78 ALDH1A1 (0.62) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL5035975 0.75 POLB (0.52) ALDH1A1
SCHEMBL9957176 0.73 MAOA (0.80) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL4420076 0.73 CYP2C19 (0.55) ALDH1A1MAOAMAOBGRM5SMN1; SMN2
Hydrochloric Acid SCHEMBL4420041 0.72 CYP2C19 (0.54) ALDH1A1MAOAMAOBGRM5SMN1; SMN2
SCHEMBL10025798 0.71 ALDH1A1 (1.00) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL4419954 0.71 CYP2C19 (0.52) ALDH1A1MAOAMAOBNPC1RAB9A

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-8481459-B2 Chemical inhibitors of ethylene biosynthesis ACADEMIA SINICA (TW) 2013-07-09 US disclosed
US-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS ACADEMIA SINICA (TW) 2012-01-26 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-20120023625-A1 CHEMICAL INHIBITORS OF ETHYLENE BIOSYNTHESIS COASY, ACACB, FDPS ALDH1A1 535/4885MAOA 1237/4885MAOB 1056/4885

“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.