SCHEMBL12366136

SCHEMBL12366136

COC(=O)c1ccc2c(c1)C(c1cccc(F)c1F)=CC(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
IL2 P60568 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PDK2 Q15119 2/20 0.38
ALOX5 P09917 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PYGL P06737 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK14 Q16539 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL12365856 0.91 NPC1 (0.45) RAB9ANPC1IL2KMT2AMEN1
SCHEMBL12366242 0.90 IL2 (0.38) RAB9ANPC1IL2KMT2AMEN1
SCHEMBL12366140 0.89 KLKB1 (0.40) RAB9ANPC1KMT2AMEN1PDK2
SCHEMBL12389145 0.89 MEN1 (0.37) RAB9ANPC1KMT2AMEN1PDK2
SCHEMBL12366124 0.88 RAB9A (0.40) RAB9ANPC1IL2KMT2AMEN1
SCHEMBL12366143 0.87 TDP1 (0.39) RAB9AKMT2AMEN1PDK2ALDH1A1
SCHEMBL12389757 0.87 RAB9A (0.39) RAB9ANPC1IL2KMT2AMEN1
SCHEMBL12366280 0.87 RAB9A (0.39) RAB9ANPC1IL2KMT2AMEN1
SCHEMBL12366178 0.85 ALPL (0.37) RAB9ANPC1KMT2AMEN1PDK2
SCHEMBL12366211 0.84 IL2 (0.41) RAB9ANPC1IL2KMT2AMEN1

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 RAB9A 430/4885NPC1 1519/4885IL2 3378/4885

“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.