SCHEMBL6691774

SCHEMBL6691774

CC(C(=O)O)c1c[nH]c2c1CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PTGS1 P23219 14/20 0.34
PTGS2 P35354 13/20 0.34
KMT2A Q03164 3/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
MT-CO1 P00395 1/20 0.33
MT-CO2 P00403 1/20 0.33
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8005765 0.98 PTGS1 (0.35) TSHRPTGS1PTGS2KMT2AOPRK1
SCHEMBL19006033 0.77 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL22289913 0.68 GFER (0.46) TSHRKMT2AHCAR2GFERKDM4E
SCHEMBL25873389 0.67 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL20842318 0.66 KMT2A (0.48) TSHRPTGS1PTGS2KMT2AKDM4E
SCHEMBL299539 0.66 BCL2L1 (0.46) PTGS2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL6691776 0.65 NPSR1 (0.41) TSHRKMT2AHCAR2KDM4EMEN1
SCHEMBL2114253 0.65 KDM4E (0.45) TSHRKMT2AHCAR2GFERKDM4E
SCHEMBL7817311 0.64 ALOX15 (0.33) SMN1; SMN2
SCHEMBL1173794 0.64 NOTUM (0.45) TSHRPTGS1PTGS2

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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 TSHR 2444/4885PTGS1 1355/4885PTGS2 1145/4885

“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.