SCHEMBL7189183

SCHEMBL7189183

COc1cc(O)cc(C)c1C=CC(=O)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.64
CTSB P07858 4/20 0.64
TDP1 Q9NUW8 1/20 0.64
ABCG2 Q9UNQ0 2/20 0.61
CAPN1 P07384 1/20 0.60
MAOB P27338 1/20 0.57
DPP4 P27487 3/20 0.55
MAOA P21397 2/20 0.54
PTPN1 P18031 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL7189177 1.00 CTSL (0.64) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL28695326 0.87 CTSL (0.66) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL28695325 0.87 CTSL (0.66) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL14836729 0.81 ABCG2 (0.78) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL7177255 0.81 CAPN1 (0.60) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL7177251 0.81 CAPN1 (0.60) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL7185747 0.80 ABCG2 (0.88) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL7185751 0.80 ABCG2 (0.88) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL7180079 0.80 CAPN1 (0.59) CTSLCTSBTDP1ABCG2CAPN1
SCHEMBL7180084 0.80 CAPN1 (0.59) CTSLCTSBTDP1ABCG2CAPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 WO 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-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 CTSL 555/4885CTSB 956/4885TDP1 2361/4885

“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.