SCHEMBL4840341

SCHEMBL4840341

COc1cc(C(=O)O)c(C=O)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
CDC25B P30305 2/20 0.48
HDAC8 Q9BY41 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
BACE1 P56817 4/20 0.45
ERN1 O75460 2/20 0.44
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL29446582 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1HPGDBACE1
SCHEMBL29446584 0.78 PTPN1 (0.44) KDM4EERN1AKR1C3AKR1C2
SCHEMBL548518 0.78 PTPN1 (0.46) KDM4EALDH1A1ERN1POLBFABP3
SCHEMBL6701301 0.76 SMN1; SMN2 (0.63) SMN1; SMN2HDAC8KDM4EALDH1A1HPGD
SCHEMBL5342329 0.76 SMN1; SMN2 (0.84) SMN1; SMN2KDM4EALDH1A1HPGDBACE1
SCHEMBL5196747 0.76 ERN1 (0.62) SMN1; SMN2CDC25BKDM4EALDH1A1HPGD
SCHEMBL4845911 0.76 ERN1 (0.62) SMN1; SMN2KDM4EALDH1A1HPGDERN1
SCHEMBL27783382 0.76 FABP3 (0.53) SMN1; SMN2CDC25BKDM4EALDH1A1HPGD
SCHEMBL5268526 0.73 HNF4A (0.59) SMN1; SMN2CDC25BKDM4EALDH1A1HPGD
Acrylic Acid SCHEMBL27869593 0.72 SMN1; SMN2 (0.54) SMN1; SMN2HDAC8KDM4EALDH1A1HPGD

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 SMN1; SMN2 1239/4885CDC25B 1156/4885HDAC8 647/4885

“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.