SCHEMBL4843870

SCHEMBL4843870

COc1ccc(C(=O)c2ccc(OC)c(OC)c2)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
MAPT P10636 2/20 0.65
GAA P10253 2/20 0.65
HTT P42858 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
CYP2C19 P33261 2/20 0.60
NPC1 O15118 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
TPMT P51580 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58

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
SCHEMBL8137315 0.86 NPC1 (0.79) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL4124832 0.86 NPC1 (0.68) ALDH1A1MAPTHTTNPSR1CYP1A2
SCHEMBL4840255 0.84 ALDH1A1 (0.69) ALDH1A1MAPTHTTNPSR1CYP2C9
SCHEMBL2488667 0.84 NPC1 (0.68) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL29633665 0.84 NPC1 (0.68) ALDH1A1MAPTGAAHTTNPSR1
SCHEMBL31527683 0.83 LMNA (0.67) ALDH1A1MAPTGAAHTTCYP1A2
SCHEMBL1443872 0.83 LMNA (0.67) ALDH1A1MAPTGAAHTTCYP1A2
SCHEMBL4842280 0.82 ALDH1A1 (0.63) ALDH1A1MAPTHTTNPSR1CYP1A2
SCHEMBL5307872 0.82 NPC1 (0.63) ALDH1A1MAPTHTTNPSR1CYP1A2
SCHEMBL4838995 0.82 ALDH1A1 (0.66) ALDH1A1MAPTHTTNPSR1CYP1A2

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 ALDH1A1 86/4885MAPT 459/4885GAA 491/4885

“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.