SCHEMBL72263

SCHEMBL72263

COc1nnc(C=O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ ERN1 O75460 10/20 0.38
▸ TRIM24 O15164 2/20 0.38
▸ TRIM33 Q9UPN9 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TYR P14679 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH5A1 P51649 1/20 0.38
▸ ABAT P80404 1/20 0.38
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNJ1 P48048 1/20 0.32
▸ APP P05067 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL72549 0.78 ALDH1A1 (0.41) ALDH1A1AOX1ERN1TRIM24TRIM33
SCHEMBL29209409 0.72 ALDH1A1 (0.49) ALDH1A1AOX1ERN1TRIM24TRIM33
SCHEMBL11198732 0.69 ALDH1A1 (0.37) ALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL72221 0.69 HTR2A (0.33) —
SCHEMBL16563898 0.69 CCR1 (0.42) ALDH1A1AOX1ERN1TRIM24TRIM33
SCHEMBL30701222 0.69 ERN1 (0.46) ALDH1A1AOX1ERN1TRIM24TRIM33
SCHEMBL19330163 0.69 ERN1 (0.46) ALDH1A1AOX1ERN1TRIM24TRIM33
SCHEMBL29209431 0.68 ALDH1A1 (0.49) ALDH1A1AOX1ERN1TRIM24TRIM33
SCHEMBL22411864 0.68 ATR (0.37) ALDH1A1HPGDCA1CA2KDM4E
SCHEMBL31167701 0.65 POLQ (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 — — US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 — — US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 — — US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 — — US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 — — US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 — — US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 — — US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 — — US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 — — US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 — — EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 — — EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 — — 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 (5 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C ALDH1A1 1572/4885AOX1 867/4885ERN1 1780/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885AOX1 696/4885ERN1 1775/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885AOX1 745/4885ERN1 1693/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885AOX1 745/4885ERN1 1693/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885AOX1 696/4885ERN1 1775/4885

“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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