SCHEMBL4839307

SCHEMBL4839307

COc1ccc(C(=O)c2ccc(C)cc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 4/20 0.55
HTT P42858 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
AKR1C3 P42330 2/20 0.54
RAB9A P51151 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL4841745 0.94 NPC1 (0.58) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL4838995 0.91 ALDH1A1 (0.66) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL4124832 0.89 NPC1 (0.68) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL9857167 0.85 NPC1 (0.63) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL25183941 0.84 NPC1 (0.57) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL11576626 0.84 MAPT (0.78) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL9726394 0.84 MAPT (0.58) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL10693522 0.84 LTC4S (0.60) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL4841244 0.83 MAPT (0.73) NPC1ALDH1A1MAPTHTTNPSR1
SCHEMBL4676500 0.83 MAPT (0.63) NPC1ALDH1A1MAPTHTTNPSR1

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-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 NPC1 204/4885ALDH1A1 86/4885MAPT 459/4885

“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.