SCHEMBL4130599

SCHEMBL4130599

CCOC(=O)c1ccc(CCCCOS(=O)(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.47
CYP4F2 P78329 2/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HPGD P15428 3/20 0.45
RECQL P46063 1/20 0.45
STS P08842 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4724393 0.83 RARB (0.55) CYP4A11CYP4F2SMN1; SMN2KMT2AMAPT
SCHEMBL6333378 0.82 HPGD (0.51) CYP4A11CYP4F2CA1CA2CA12
SCHEMBL5539523 0.79 CA12 (0.54) CYP4A11CYP4F2CA1CA2CA12
SCHEMBL570964 0.78 RARB (0.58) CYP4A11CYP4F2CA1CA2CA12
SCHEMBL5536416 0.77 CA12 (0.53) CYP4A11CYP4F2CA1CA2CA12
SCHEMBL5545160 0.77 CA12 (0.56) CYP4A11CYP4F2CA1CA2CA12
SCHEMBL6123675 0.77 THRA (0.59) CA1CA2CA12ESR1CA7
SCHEMBL3796237 0.77 THRA (0.59) CA1CA2CA12ESR1CA7
SCHEMBL6394479 0.77 CA12 (0.56) CYP4A11CYP4F2CA1CA2CA12
SCHEMBL12040863 0.77 THRA (0.59) CA1CA2CA12ESR1CA7

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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR CYP4A11 122/4885CYP4F2 113/4885CA1 4525/4885

“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.