SCHEMBL3675327

SCHEMBL3675327

CCC(CC)n1c(O)nc2nccc(C(=O)OC)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
PSMD14 O00487 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
ATR Q13535 1/20 0.33
NUDT1 P36639 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP2K1 Q02750 1/20 0.32
MET P08581 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR4A2 P43354 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
SCHEMBL3669340 0.86 KDM5B (0.37) KDM4EL3MBTL1TDP1
SCHEMBL13007669 0.76 ALDH1A1 (0.33) KDM4EALDH1A1GAAHSD17B10TDP1
SCHEMBL3675331 0.76 GRK6 (0.44) KDM4EALDH1A1KMT2A
SCHEMBL3672672 0.73 ELANE (0.32)
SCHEMBL2297785 0.72 CHEK1 (0.36) KMT2A
SCHEMBL976947 0.71 MAPK1 (0.33) KDM4EALDH1A1LMNATSHR
SCHEMBL3666997 0.68 CDK4 (0.33)
SCHEMBL976298 0.68 CYP1A2 (0.31)
SCHEMBL3665285 0.67 KMT2A (0.39) KMT2A
SCHEMBL2295634 0.66 ACVR2A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 KDM4E 4360/4885PSMD14 2137/4885ALDH1A1 4750/4885

“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.