SCHEMBL12366189

SCHEMBL12366189

COC(=O)c1ccc2c(c1)C(c1cccc(Cl)c1Cl)=CC(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.46
MAPT P10636 7/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.39
PDK2 Q15119 2/20 0.39
MAPK14 Q16539 3/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL12366163 0.92 KMT2A (0.42) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL12366140 0.90 KLKB1 (0.40) SLC6A3MAPTALDH1A1KMT2AMEN1
SCHEMBL12366195 0.89 ALDH1A1 (0.41) SLC6A3MAPTALDH1A1KDM4EKMT2A
SCHEMBL12366205 0.87 TDP1 (0.40) SLC6A3
SCHEMBL12366042 0.84 MAPK14 (0.44) MAPTALDH1A1KMT2AMEN1MAPK14
SCHEMBL12366191 0.84 SLC6A3 (0.46) SLC6A3MAPTALDH1A1KDM4EHPGD
SCHEMBL12366215 0.84 ALDH1A1 (0.43) SLC6A3MAPTALDH1A1KDM4EHPGD
SCHEMBL12389982 0.83 HCRTR1 (0.43) MAPTKMT2AMEN1PDK2ALOX5
SCHEMBL12365205 0.83 MEN1 (0.43) MAPTALDH1A1KDM4EHPGDKMT2A
SCHEMBL12366126 0.83 ALOX15 (0.45) MAPTALDH1A1KDM4EHPGDHTT

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 463/4885ALDH1A1 934/4885

“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.