Sugi Predict

Sugi Predict / Compounds / SCHEMBL10088409

SCHEMBL10088409

SCHEMBL10088409

COCOc1cc(OC)c2c(c1)OCC(C=O)=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROR1 Q01973 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAOB P27338 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TNFRSF1A P19438 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL10088402 0.86 ROR1 (0.33) ROR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2322825 0.85 HDAC3 (0.31) ROR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17527250 0.84 HDAC3 (0.31) ROR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10088629 0.78 NR1H4 (0.39) LMNAHPGDMAOBALDH1A1CYP3A4
SCHEMBL2328053 0.77 ALOX5 (0.41) ROR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10088529 0.75 FOXM1 (0.33) LMNAALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL9729530 0.66 ALOX5 (0.54) LMNAHPGDMAOBALDH1A1CYP3A4
SCHEMBL31544361 0.66 ALOX5 (0.54) LMNAHPGDMAOBALDH1A1CYP3A4
SCHEMBL10088438 0.65 PARP10 (0.43) MAOBALDH1A1MAPTPTGS1PTGS2
SCHEMBL30401888 0.65 ERN1 (0.41) ROR1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 — — US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 — — US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 — — US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 — — US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 — — 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 ROR1 424/4885HDAC3 2806/4885HDAC4 2347/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 ROR1 429/4885HDAC3 1818/4885HDAC4 1624/4885

“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.