SCHEMBL19798646

SCHEMBL19798646

COC1C2CC3CC1CC(C(C)=O)(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
HSD11B1 P28845 9/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SCN9A Q15858 1/20 0.33
HSD11B2 P80365 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL17761943 0.85 HSD11B1 (0.43) GLAHSD11B1HSD11B2
SCHEMBL24856804 0.84 HSD11B1 (0.38) GLAHSD11B1ALDH1A1POLB
SCHEMBL19218007 0.84 GLA (0.35) GLAHSD11B1ALDH1A1TSHRHSD11B2
SCHEMBL12791748 0.82 HSD11B1 (0.36) GLAHSD11B1SCN9A
SCHEMBL12791867 0.82 HSD11B1 (0.36) GLAHSD11B1SCN9A
SCHEMBL19798637 0.79 CYP2C9 (0.37) GLAHSD11B1ALDH1A1TSHRPOLB
SCHEMBL19808523 0.79 HSD11B1 (0.35) GLAHSD11B1ALDH1A1TSHRPOLB
SCHEMBL19757635 0.77 HSD11B1 (0.47) GLAHSD11B1ALDH1A1TSHRPOLB
SCHEMBL159994 0.77 HSD11B1 (0.47) GLAHSD11B1ALDH1A1TSHRPOLB
SCHEMBL14654298 0.77 GAA (0.60) HSD11B1ALDH1A1HSD11B2POLBLMNA

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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 GLA 2293/4885HSD11B1 196/4885ALDH1A1 2128/4885

“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.