SCHEMBL9893958

SCHEMBL9893958

COc1cc2ccccc2c2[nH]cc(C(=O)O)c(=O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
CSNK2A2 P19784 2/20 0.58
CSNK2B P67870 2/20 0.58
CSNK2A1 P68400 2/20 0.58
HSD17B10 Q99714 3/20 0.48
CYP1A2 P05177 2/20 0.48
CDC25B P30305 2/20 0.45
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TET2 Q6N021 1/20 0.43
TET1 Q8NFU7 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CYP2C9 P11712 2/20 0.41
DNA2 P51530 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL965549 0.81 TET2 (0.59) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL10839866 0.78 KDM4E (0.65) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL7509122 0.76 KDM4E (1.00) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL30353212 0.75 ALDH1A1 (0.97) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
Ammonia Solution, Strong SCHEMBL28187483 0.75 ALDH1A1 (0.97) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL11415484 0.75 ALDH1A1 (0.64) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL13381581 0.74 CSNK2A2 (1.00) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
Fluoride SCHEMBL5823412 0.74 ALDH1A1 (0.94) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL20704965 0.73 ALDH1A1 (0.48) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL395847 0.73 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318703-B2 Methods for improving kidney function FIBROGEN, INC. (US) 2012-11-27 US disclosed
US-20120149712-A1 Methods for improving kidney function FIBROGEN, INC. (US) 2012-06-14 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-20120149712-A1 Methods for improving kidney function ATP6V1B1, REN, GLS KDM4E 3288/4885ALDH1A1 2566/4885HPGD 806/4885

“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.