SCHEMBL21473331

SCHEMBL21473331

CC(C)[C@@H]1CC[C@]2(C)OC2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.36
ALDH1A1 P00352 1/20 0.34
FTH1 P02794 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4D Q08499 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2852967 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL30781980 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL30781958 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL14849904 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL18553077 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL21473189 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL14776371 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL29534511 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL21473187 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL1856780 0.84 CYP3A4 (0.36) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2019-10-24 US disclosed
WO-2019200273-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-17 WO 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-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS CYP3A4 321/4885ALDH1A1 4574/4885FTH1 1397/4885
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS CYP3A4 318/4885ALDH1A1 4621/4885FTH1 1335/4885

“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.