SCHEMBL12366187

SCHEMBL12366187

COC(=O)c1ccc2c(c1)C(c1c(F)cc(OC)cc1F)=CC(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ABCB1 P08183 7/20 0.36
KMT2A Q03164 3/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX5 P09917 1/20 0.34
ABCC1 P33527 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
XDH P47989 1/20 0.34
CA9 Q16790 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
SCHEMBL12365575 0.91 MAPT (0.38) CA1CA2KMT2ARAB9AMEN1
SCHEMBL12366047 0.91 MAPT (0.38) CA1CA2KMT2ARAB9AMEN1
SCHEMBL12366024 0.91 MAPT (0.38) CA1CA2KMT2ARAB9AMEN1
SCHEMBL12366201 0.90 LMNA (0.45) CA1CA2ABCB1KMT2ARAB9A
SCHEMBL12366124 0.88 RAB9A (0.40) CA1CA2KMT2ARAB9AMEN1
SCHEMBL12366260 0.86 CYP1A2 (0.37) CA1CA2KMT2ARAB9AMEN1
SCHEMBL12389753 0.86 MAPT (0.36) ABCB1KMT2ARAB9AMEN1MAPT
SCHEMBL12366243 0.85 CA1 (0.40) CA1CA2ABCB1KMT2ARAB9A
SCHEMBL12366258 0.84 SMN1; SMN2 (0.36) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL12366607 0.84 HTR5A (0.39)

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 CA1 4058/4885CA2 4308/4885ABCB1 1664/4885

“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.