SCHEMBL6793002

SCHEMBL6793002

NCCCn1nc2c(c1C(=O)O)Cc1cc(O)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.41
CYP2C9 P11712 3/20 0.36
HSD17B1 P14061 1/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 2/20 0.34
CHEK1 O14757 1/20 0.34
CYP2C8 P10632 2/20 0.34
PDPK1 O15530 1/20 0.32
CDK2 P24941 1/20 0.32
AKR1B1 P15121 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 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
Bromide SCHEMBL6799686 0.99 HCAR2 (0.41) HCAR2CYP2C9HSD17B1ESR1ESR2
SCHEMBL6798259 0.93 HCAR2 (0.37) HCAR2CYP2C9HSD17B1ESR1PDPK1
Bromide SCHEMBL6795275 0.92 HCAR2 (0.37) HCAR2CYP2C9HSD17B1ESR1PDPK1
Hydrochloric Acid SCHEMBL1656581 0.89 HCAR2 (0.44) HCAR2CYP2C9ESR1CYP2C8PDPK1
Hydrochloric Acid SCHEMBL6792819 0.81 ESR1 (0.33) HCAR2CYP2C9ESR1
Trifluoroacetic Acid SCHEMBL6786915 0.76 ESR1 (0.33) HCAR2CYP2C9ESR1ESR2
Hydrochloric Acid SCHEMBL6792800 0.75 HCAR2 (0.39) HCAR2CYP2C9ESR1ESR2CDK2
Trifluoroacetic Acid SCHEMBL6787997 0.75 ESR1 (0.31) ESR1
Bromide SCHEMBL1658121 0.74 PDPK1 (0.39) HCAR2CYP2C9PDPK1CDK2
SCHEMBL6792318 0.73 PDPK1 (0.35) HCAR2PDPK1CDK2

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 HCAR2 1767/4885CYP2C9 1505/4885HSD17B1 2202/4885

“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.