SCHEMBL4841164

SCHEMBL4841164

COc1ccc(C(=O)COCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 2/20 0.49
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH1 P35367 1/20 0.46
HTT P42858 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL19249220 0.85 NPC1 (0.46) TP53TSHRNPC1RAB9AALDH1A1
SCHEMBL4838604 0.83 USP2 (0.73) TP53USP2TSHRAKR1C3AKR1C2
SCHEMBL4842254 0.82 NPC1 (0.57) TP53USP2AKR1C3AKR1C2NPC1
SCHEMBL4129413 0.81 SMN1; SMN2 (0.53) TP53USP2AKR1C3AKR1C2NPC1
SCHEMBL9653413 0.79 NPC1 (0.65) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL5307373 0.78 TDP1 (0.57) NPC1RAB9AALDH1A1LMNAMAPK1
SCHEMBL31550547 0.77 HDAC8 (0.60) TP53TSHRNPC1RAB9AHTT
SCHEMBL28589540 0.77 USP2 (0.73) TP53USP2TSHRAKR1C3AKR1C2
SCHEMBL6404086 0.77 HDAC8 (0.60) TP53TSHRNPC1RAB9AHTT
Benzene SCHEMBL29227606 0.77 ALDH1A1 (0.63) TP53USP2AKR1C3AKR1C2NPC1

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 3 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
CN-1953972-A 1-amino-phthalazine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2007-04-25 CN 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 TP53 1301/4885USP2 3551/4885TSHR 2989/4885

“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.