SCHEMBL5120048

SCHEMBL5120048

O=C(O)C(=O)C1=C(O)c2ccc(Cl)cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 4/20 0.55
▸ SRD5A2 P31213 3/20 0.55
▸ HTT P42858 1/20 0.46
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP19A1 P11511 2/20 0.37
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ METAP1 P53582 1/20 0.36

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
SCHEMBL5113809 0.74 SRD5A2 (0.41) SRD5A1SRD5A2HTTCA1CA2
SCHEMBL4025662 0.72 SRD5A1 (0.61) SRD5A1SRD5A2HTTCA1CA2
SCHEMBL15282381 0.72 SRD5A1 (0.64) SRD5A1SRD5A2HTTHSP90AA1CYP19A1
Acetic Acid SCHEMBL28550221 0.70 SRD5A1 (0.58) SRD5A1SRD5A2HTT
SCHEMBL11813278 0.69 SRD5A2 (0.77) SRD5A1SRD5A2HTTHSP90AA1CYP19A1
SCHEMBL2312578 0.69 AKR1B1 (0.58) SRD5A1SRD5A2HTTCYP19A1AKR1B1
SCHEMBL2601324 0.69 METAP1 (0.60) SRD5A1SRD5A2HTTHSP90AA1CYP19A1
SCHEMBL9390046 0.69 SRD5A1 (0.57) SRD5A1SRD5A2HTTHSP90AA1CYP19A1
SCHEMBL9390050 0.69 SRD5A1 (0.57) SRD5A1SRD5A2HTTHSP90AA1CYP19A1
SCHEMBL9390039 0.69 SRD5A1 (0.57) SRD5A1SRD5A2HTTHSP90AA1CYP19A1

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-7384960-B2 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-06-10 — — US disclosed
US-20050192332-A1 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2005-09-01 — — US disclosed
US-6906080-B1 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2005-06-14 — — 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-20050192332-A1 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same CNR1, CNR2, CBR3 SRD5A1 562/4885SRD5A2 724/4885HTT 4056/4885

“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.

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