SCHEMBL72549

SCHEMBL72549

COc1cc(C=O)nnc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PRKDC P78527 2/20 0.37
▸ HPGD P15428 2/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ ALDH5A1 P51649 1/20 0.35
▸ ABAT P80404 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ERN1 O75460 6/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ FDPS P14324 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
SCHEMBL72263 0.78 ALDH1A1 (0.42) ALDH1A1TSHRTDP1KDM4EHPGD
SCHEMBL22042684 0.71 ALDH1A1 (0.46) ALDH1A1TSHRTDP1KDM4EHPGD
SCHEMBL31092640 0.71 ALDH1A1 (0.46) ALDH1A1TSHRTDP1KDM4EHPGD
SCHEMBL72221 0.71 HTR2A (0.33) —
SCHEMBL24226816 0.70 ALDH1A1 (0.39) ALDH1A1TSHRTDP1KDM4EHPGD
SCHEMBL1223854 0.69 ALDH1A1 (0.47) ALDH1A1TSHRTDP1KDM4EPRKDC
SCHEMBL15577470 0.68 ALDH1A1 (0.38) ALDH1A1TDP1KDM4EHPGDCYP1A2
SCHEMBL29952293 0.68 CCR1 (0.43) ALDH1A1TSHRTDP1KDM4EPRKDC
SCHEMBL2995021 0.68 CCR1 (0.43) ALDH1A1TSHRTDP1KDM4EPRKDC
SCHEMBL9828231 0.68 ALDH1A1 (0.55) ALDH1A1TSHRTDP1KDM4EPRKDC

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 1572/4885TSHR 899/4885TDP1 340/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885TSHR 1031/4885TDP1 338/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885TSHR 1209/4885TDP1 327/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1364/4885TSHR 1209/4885TDP1 327/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A ALDH1A1 1357/4885TSHR 1031/4885TDP1 338/4885

“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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