Sugi Predict

Sugi Predict / Compounds / SCHEMBL12378837

SCHEMBL12378837

SCHEMBL12378837

O=c1cc(-c2cc(O)c(O)c(O)c2)oc2ccc(O)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRS Q13332 2/20 0.78
▸ MAPT P10636 6/20 0.74
▸ CYP3A4 P08684 5/20 0.74
▸ NPC1 O15118 4/20 0.74
▸ RAB9A P51151 4/20 0.74
▸ HPGD P15428 4/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ TP53 P04637 3/20 0.74
▸ ALOX15 P16050 2/20 0.74
▸ IP6K2 Q9UHH9 2/20 0.74
▸ LMNA P02545 1/20 0.74
▸ THRB P10828 1/20 0.74
▸ CASP3 P42574 1/20 0.74
▸ SENP8 Q96LD8 1/20 0.74
▸ SENP7 Q9BQF6 1/20 0.74
▸ SENP6 Q9GZR1 1/20 0.74
▸ FTO Q9C0B1 3/20 0.70
▸ CALM1 P0DP23 1/20 0.70
▸ PKM P14618 1/20 0.70
▸ ALDH1A1 P00352 3/20 0.68

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
SCHEMBL158519 0.88 PTPRS (1.00) PTPRSMAPTCYP3A4NPC1RAB9A
SCHEMBL30591365 0.86 ALOX5 (0.78) PTPRSMAPTCYP3A4NPC1RAB9A
SCHEMBL491032 0.86 ALOX5 (0.78) PTPRSMAPTCYP3A4NPC1RAB9A
SCHEMBL29664594 0.86 ALOX5 (0.78) PTPRSMAPTCYP3A4NPC1RAB9A
SCHEMBL31741263 0.85 MAPT (1.00) MAPTCYP3A4NPC1RAB9AHPGD
SCHEMBL311405 0.85 MAPT (1.00) MAPTCYP3A4NPC1RAB9AHPGD
SCHEMBL7854453 0.85 MAPT (0.70) PTPRSMAPTCYP3A4NPC1RAB9A
SCHEMBL19209889 0.84 PTPRS (0.86) PTPRSMAPTCYP3A4NPC1RAB9A
6-Hydroxyflavone SCHEMBL29628861 0.83 MAPT (1.00) MAPTCYP3A4NPC1RAB9AHPGD
6-Hydroxyflavone SCHEMBL676594 0.83 MAPT (1.00) MAPTCYP3A4NPC1RAB9AHPGD

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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 — — US disclosed
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 — — US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 — — US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 — — US disclosed
WO-2009018350-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 — — WO disclosed
WO-2009018320-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 — — 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 (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-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 PTPRS 3924/4885MAPT 2788/4885CYP3A4 718/4885
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 PTPRS 3924/4885MAPT 2788/4885CYP3A4 718/4885

“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.