SCHEMBL23513637

SCHEMBL23513637

CCN1CCCC2(CC2C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL23513696 0.81
SCHEMBL21645538 0.80 HSD11B1 (0.40) HSD11B1SMN1; SMN2KDM4EOPRM1OPRD1
SCHEMBL23513596 0.74 HRH3 (0.40) HSD11B1CYP2D6
SCHEMBL12524897 0.74 TSHR (0.36)
Trifluoroacetic Acid SCHEMBL31622109 0.72 FFAR4 (0.37) HSD11B1SMN1; SMN2KDM4EOPRM1OPRD1
SCHEMBL23513771 0.70 HRH3 (0.37) ALDH1A1OPRM1
SCHEMBL1634054 0.70 LMNA (0.39) KDM4EALDH1A1CYP2D6
SCHEMBL301094 0.70
SCHEMBL567749 0.69 FFAR3 (0.41) HSD11B1SMN1; SMN2KDM4EALDH1A1CYP2D6
SCHEMBL567748 0.69 FFAR3 (0.41) HSD11B1SMN1; SMN2KDM4EALDH1A1CYP2D6

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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 HSD11B1 1102/4885SMN1; SMN2 1987/4885KDM4E 2028/4885

“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.