SCHEMBL21356582

SCHEMBL21356582

C[C@]12CC[C@@H]3c4cc[c]cc4CC[C@H]3C1CCC2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 8/20 0.65
HSD17B1 P14061 7/20 0.65
CYP19A1 P11511 6/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
ESR1 P03372 2/20 0.65
ESR2 Q92731 2/20 0.65
AKR1B10 O60218 1/20 0.65
SHBG P04278 1/20 0.65
CYP1A2 P05177 1/20 0.65
PGR P06401 1/20 0.65
SERPINA6 P08185 1/20 0.65
CYP3A4 P08684 1/20 0.65
AR P10275 1/20 0.65
AKR1B1 P15121 1/20 0.65
NFKB1 P19838 1/20 0.65
SLC6A4 P31645 1/20 0.65
OPRM1 P35372 1/20 0.65
SNCA P37840 1/20 0.65
HTR2B P41595 1/20 0.65

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
SCHEMBL7165568 1.00 STS (0.65) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL8710195 0.86 STS (0.47) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL17457554 0.85 CYP19A1 (0.46) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL7179669 0.83 HSD17B1 (0.58) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL7175364 0.83 HSD17B1 (0.58) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL5677682 0.82 STS (0.70) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL1258196 0.82 STS (0.70) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL10031984 0.82 STS (0.70) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL29539187 0.82 STS (0.70) STSHSD17B1CYP19A1LMNAMAPT
SCHEMBL14079692 0.82 STS (0.70) STSHSD17B1CYP19A1LMNAMAPT

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-11254702-B2 Thionyl tetrafluoride modified compounds and uses THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 US disclosed
US-20190284226-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES THE SCRIPPS RESEARCH INSTITUTE 2019-09-19 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 (2 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-20190284226-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES SFXN3, TST, SIRT3 STS 36/4885HSD17B1 4612/4885CYP19A1 4210/4885
US-11254702-B2 Thionyl tetrafluoride modified compounds and uses SFXN3, TST, SIRT3 STS 36/4885HSD17B1 4612/4885CYP19A1 4210/4885

“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.