SCHEMBL5857517

SCHEMBL5857517

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nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5495937 0.86 MTNR1A (0.33) DDAH1MTNR1AMTNR1B
SCHEMBL5503408 0.85 TSHR (0.33) MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL5503012 0.81 DDAH1 (0.33) DDAH1TSHR
SCHEMBL14614017 0.74 USP2 (0.36) ALDH1A1
SCHEMBL27668817 0.73 KDM4E (0.33) MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL3297885 0.73 KDM4E (0.33) MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL20768359 0.72 KDM4E (0.44) MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL6807203 0.71 ADRA1A (0.36) MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL4817591 0.70 PAOX (0.35) MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL5500614 0.70 PAOX (0.35) MTNR1AMTNR1BTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US disclosed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US disclosed
US-6492562-B1 INVENTION ALSO RELATES TO NOVEL INTERMEDIATES AND THE RESULTING MODIFIED POLYKETIDES AND ANTIBIOTICS. KOSAN BIOSCIENCES, INC. 2002-12-10 US disclosed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 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-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer COASY, KARS1, ACOT7 DDAH1 2214/4885MTNR1A 4157/4885MTNR1B 4469/4885

“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.