SCHEMBL12366000

SCHEMBL12366000

COC(=O)c1ccc2c(c1)C(=O)C[C@@H](C)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.57
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
CASP3 P42574 2/20 0.42
ABCB1 P08183 1/20 0.41
AR P10275 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL2260379 1.00 PBRM1 (0.57) PBRM1TDP1RAB9ASMN1; SMN2CA12
SCHEMBL12365976 1.00 PBRM1 (0.57) PBRM1TDP1RAB9ASMN1; SMN2CA12
SCHEMBL13384435 0.85 PBRM1 (0.56) PBRM1TDP1RAB9AALDH1A1NPSR1
SCHEMBL30726843 0.82 SMN1; SMN2 (0.41) PBRM1RAB9ASMN1; SMN2CA12CA9
SCHEMBL29653952 0.81 TDP1 (0.70) TDP1RAB9ASMN1; SMN2CA12CA9
SCHEMBL16742309 0.81 TDP1 (0.70) TDP1RAB9ASMN1; SMN2CA12CA9
SCHEMBL17386102 0.80 RAB9A (0.50) PBRM1TDP1RAB9ASMN1; SMN2CA12
SCHEMBL17386100 0.80 RAB9A (0.50) PBRM1TDP1RAB9ASMN1; SMN2CA12
SCHEMBL17429694 0.80 RAB9A (0.47) PBRM1TDP1RAB9ASMN1; SMN2CA12
SCHEMBL12180409 0.78 SMN1; SMN2 (0.48) TDP1RAB9ASMN1; SMN2CA12CA9

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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 (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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PBRM1 2859/4885TDP1 378/4885RAB9A 430/4885

“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.