SCHEMBL6071587

SCHEMBL6071587

CC(C)Cn1c2c(c3ccccc31)CCc1c-2n[nH]c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
PDE5A O76074 3/20 0.39
AURKA O14965 1/20 0.39
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 1/20 0.39
HSD17B10 Q99714 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
F5 P12259 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6071467 0.88 PDE5A (0.47) KDM4EALDH1A1HPGDPDE5AAURKA
SCHEMBL6071280 0.86 PDE5A (0.49) KDM4EALDH1A1HPGDPDE5AAURKA
SCHEMBL6071197 0.84 ALDH1A1 (0.56) KDM4EALDH1A1HPGDPDE5AAURKA
SCHEMBL6071171 0.83 KDM4E (0.41) KDM4EALDH1A1PDE5AAURKAMAPK10
SCHEMBL6071546 0.82 MAPT (0.48) KDM4EALDH1A1AURKAMAPK10RIPK1
SCHEMBL6071023 0.69 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL6071119 0.66 AURKA (0.68) KDM4EALDH1A1HPGDAURKAMAPK10
SCHEMBL28607599 0.65 PTGDR2 (0.62)
SCHEMBL6071191 0.64 KDM4E (0.47) KDM4EALDH1A1HPGDPDE5AHSD17B10
Trifluoroacetic Acid SCHEMBL31078343 0.63 HDAC6 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 KDM4E 1799/4885ALDH1A1 4446/4885HPGD 3207/4885

“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.