SCHEMBL4844145

SCHEMBL4844145

CCC(=O)c1c(OC)cc(OC)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HMGCR P04035 1/20 0.46
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8546247 0.86 CYP3A4 (0.55) CYP3A4USP2MAPK1SMN1; SMN2HMGCR
SCHEMBL6507929 0.84 SMN1; SMN2 (0.53) CYP3A4USP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4843393 0.81 TP53 (0.56) CYP3A4USP2SMN1; SMN2ALDH1A1LMNA
SCHEMBL28320490 0.80 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2HMGCR
SCHEMBL2874467 0.80 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2HMGCR
SCHEMBL30506419 0.80 CYP3A4 (0.67) CYP3A4USP2MAPK1SMN1; SMN2HMGCR
SCHEMBL9559998 0.79 CYP3A4 (0.47) CYP3A4USP2MAPK1SMN1; SMN2HMGCR
SCHEMBL1500114 0.79 CYP3A4 (0.47) CYP3A4USP2MAPK1SMN1; SMN2HMGCR
SCHEMBL4407605 0.77 PTPN1 (0.46) CYP3A4USP2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9019336 0.77 NPC1 (0.50) CYP3A4USP2SMN1; SMN2CYP2D6CYP2C19

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 CYP3A4 562/4885USP2 3551/4885MAPK1 2850/4885

“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.