SCHEMBL19859959

SCHEMBL19859959

O=C(O)C1[C@H]2CC3C[C@@H](C2)C[C@H]1C3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
CYP2C9 P11712 1/20 0.43
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.36
APEX1 P27695 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
TFPI2 P48307 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
GRM5 P41594 4/20 0.35
GRM2 Q14416 4/20 0.35
GRM6 O15303 2/20 0.35
GRM1 Q13255 2/20 0.35

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
SCHEMBL16698251 1.00 HSD11B1 (0.48) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL160953 1.00 HSD11B1 (0.48) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL28134791 0.97 HSD11B1 (0.46) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL27917064 0.97 HSD11B1 (0.46) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL15772802 0.97 HSD11B1 (0.46) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL28134798 0.97 HSD11B1 (0.46) HSD11B1CYP2C9POLBTDP1HSD17B10
Hydrochloric Acid SCHEMBL3051989 0.97 HSD11B1 (0.46) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL28134787 0.97 HSD11B1 (0.46) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL31349739 0.97 HSD11B1 (0.46) HSD11B1CYP2C9POLBTDP1HSD17B10
SCHEMBL29099215 0.84 POLB (0.43) POLBTDP1TSHRAPEX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-9890192-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-02-13 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-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 HSD11B1 2734/4885CYP2C9 908/4885POLB 394/4885

“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.