SCHEMBL3821582

SCHEMBL3821582

COC(=O)CC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.62
FEN1 P39748 1/20 0.62
HAO1 Q9UJM8 1/20 0.62
MAPT P10636 9/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 3/20 0.58
PTPN1 P18031 1/20 0.56
GSK3B P49841 1/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
RAB9A P51151 3/20 0.55
FFAR1 O14842 1/20 0.55
CYP1A2 P05177 1/20 0.55
HIF1A Q16665 1/20 0.55
AGTR1 P30556 1/20 0.53
LTB4R Q15722 1/20 0.52

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
SCHEMBL275775 0.88 KMT2A (0.67) ERCC5FEN1MAPTSMN1; SMN2HPGD
SCHEMBL29035576 0.86 KMT2A (0.64) ERCC5FEN1MAPTSMN1; SMN2HPGD
SCHEMBL10001233 0.86 SMN1; SMN2 (0.66) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL4270804 0.84 MAPT (0.61) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL27182280 0.84 ERCC5 (0.77) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL13871104 0.83 ERCC5 (0.56) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL10986985 0.83 HDAC1 (0.63) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL1221520 0.83 MAPT (0.54) ERCC5FEN1HAO1MAPTSMN1; SMN2
SCHEMBL14918369 0.82 CA1 (0.52) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL1728532 0.82 ERCC5 (0.68) ERCC5FEN1MAPTSMN1; SMN2HPGD

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
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-3993670-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3971731-A OPTICAL BRIGHTENER, UV ABSORBER BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3950381-A Preparation of aroyl acidic esters BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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 (1 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 ERCC5 4741/4885FEN1 1839/4885HAO1 1170/4885

“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.