SCHEMBL12366191

SCHEMBL12366191

COC(=O)c1ccc2c(c1)C(c1ccc(Cl)cc1Cl)=CC(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.46
MAPT P10636 8/20 0.43
ALPL P05186 1/20 0.41
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
ATM Q13315 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12366215 0.91 ALDH1A1 (0.43) SLC6A3MAPTALDH1A1RAB9ANPC1
SCHEMBL12366214 0.90 MEN1 (0.37) SLC6A3MAPTALDH1A1RAB9ANPC1
SCHEMBL12366043 0.89 MAPT (0.38) SLC6A3MAPTALDH1A1RAB9ANPC1
SCHEMBL12366165 0.89 PARP1 (0.39) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL12366033 0.87 MAPT (0.41) SLC6A3MAPTALDH1A1RAB9ANPC1
SCHEMBL12366244 0.87 MEN1 (0.40) SLC6A3MAPTALDH1A1RAB9ANPC1
SCHEMBL12366163 0.87 KMT2A (0.42) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL12366204 0.87 SRD5A2 (0.46) MAPTALPLALDH1A1RAB9ANPC1
SCHEMBL12366189 0.84 SLC6A3 (0.46) SLC6A3MAPTALDH1A1RAB9ANPC1
SCHEMBL12366195 0.82 ALDH1A1 (0.41) SLC6A3MAPTALDH1A1RAB9ANPC1

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 SLC6A3 137/4885MAPT 463/4885ALPL 4376/4885

“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.