SCHEMBL5054504

SCHEMBL5054504

[CH2]CCCCCNc1c(C(=O)O)ccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ BRCA1 P38398 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ FTO Q9C0B1 9/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMAD3 P84022 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ ALB P02768 1/20 0.37

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
SCHEMBL375100 0.83 FTO (0.49) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL584155 0.83 HPGD (0.44) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL6479542 0.77 FTO (0.58) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL6037012 0.77 ALDH1A1 (0.56) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL17515090 0.76 ALDH1A1 (0.55) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL6037295 0.76 HPGD (0.48) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL20832 0.76 ALDH1A1 (0.60) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL25220939 0.75 HPGD (0.52) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL29044412 0.75 ALDH1A1 (0.67) HPGDBRCA1HSD17B10ALDH1A1CYP2C9
SCHEMBL5872498 0.74 FTO (0.50) HPGDBRCA1HSD17B10ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10520496-B2 Methods, compositions, and kits for detection of bacterial proteases CITY OF HOPE (US) 2019-12-31 — — US disclosed
US-20190004036-A1 METHODS, COMPOSITIONS, AND KITS FOR DETECTION OF BACTERIAL PROTEASES CITY OF HOPE 2019-01-03 — — US disclosed
WO-2017027867-A2 METHODS, COMPOSITIONS, AND KITS FOR DETECTION OF BACTERIAL PROTEASES CITY OF HOPE (US) 2017-02-16 — — WO disclosed
US-20080292576-A1 METHOD FOR IDENTIFYING HAIR CONDITIONER-RESISTANT HAIR-BINDING PEPTIDES AND HAIR BENEFIT AGENTS THEREFROM E.I. DU PONT DE NEMOURS AND CO. (US) 2008-11-27 — — US disclosed
EP-1856311-A2 A METHOD FOR IDENTIFYING SKIN CARE COMPOSITION-RESISTANT SKIN-BINDING PEPTIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-21 — — EP disclosed
EP-1853734-A2 A METHOD FOR IDENTIFYING HAIR CONDITIONER-RESISTANT HAIR-BINDING PEPTIDES AND HAIR BENEFIT AGENTS THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-11-14 — — EP disclosed
US-20070196305-A1 Method for identifying hair conditioner-resistant hair-binding peptides and hair benefit agents therefrom E. I. DU PONT DE NEMOURS AND COMPANY 2007-08-23 — — US disclosed
WO-2006094094-A2 A METHOD FOR IDENTIFYING HAIR CONDITIONER-RESISTANT HAIR-BINDING PEPTIDES AND HAIR BENEFIT AGENTS THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-09-08 — — WO disclosed
WO-2006094093-A2 A METHOD FOR IDENTIFYING SKIN CARE COMPOSITION-RESISTANT SKIN-BINDING PEPTIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-09-08 — — WO disclosed
US-20060199206-A1 Method for identifying skin care composition-resistant skin-binding peptides E. I. DU PONT DE NEMOURS AND COMPANY 2006-09-07 — — 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 (2 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-20080292576-A1 METHOD FOR IDENTIFYING HAIR CONDITIONER-RESISTANT HAIR-BINDING PEPTIDES AND HAIR BENEFIT AGENTS THEREFROM CUTA, SHBG, PSAP HPGD 2646/4885BRCA1 3700/4885HSD17B10 1570/4885
US-20070196305-A1 Method for identifying hair conditioner-resistant hair-binding peptides and hair benefit agents therefrom CUTA, SHBG, PSAP HPGD 2646/4885BRCA1 3700/4885HSD17B10 1570/4885

“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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