Sugi Predict

Sugi Predict / Compounds / SCHEMBL713540

SCHEMBL713540

SCHEMBL713540

COC(=O)/C=C(C)/C=C(\C)CC(C)CCCC[C@@H]1OC(=O)[C@H]1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ DAGLA Q9Y4D2 9/20 0.35
▸ CNR1 P21554 8/20 0.35
▸ DAGLB Q8NCG7 3/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ABHD16A O95870 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LIPC P11150 1/20 0.33
▸ PNLIP P16233 1/20 0.33

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
SCHEMBL10371408 1.00 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10371410 1.00 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10370899 0.91 DAGLA (0.35) DAGLACNR1DAGLBMGLLMEN1
SCHEMBL10370898 0.91 DAGLA (0.35) DAGLACNR1DAGLBMGLLMEN1
SCHEMBL10373019 0.89 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10373020 0.89 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
Antibiotic 1233A SCHEMBL285680 0.88 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
Antibiotic 1233A SCHEMBL613745 0.88 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
Antibiotic 1233A SCHEMBL285679 0.88 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL715717 0.84 DAGLA (0.36) PRKCAPRKD3PRKCGPRKCBPRKCH

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
US-8124794-B2 Method for the asymmetric synthesis of beta-lactone compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-28 — — US disclosed
US-7799826-B2 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-21 — — US disclosed
US-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-08 — — US disclosed
US-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2004-02-05 — — 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-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS FASN, COASY, FADS1 PRKCA 966/4885PRKD3 2362/4885PRKCG 1172/4885
US-20040024050-A1 Inhibition of fatty acid synthase by beta-lactones and other compounds for inhibition of cellular proliferation FASN, FADS1, FADS2 PRKCA 916/4885PRKD3 2790/4885PRKCG 1235/4885

“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.