SCHEMBL25595149

SCHEMBL25595149

C[C@@]12CCCCC#CCCC[C@H]1O2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.35
ALDH1A1 P00352 1/20 0.33
FTH1 P02794 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7108599 0.83
SCHEMBL1262673 0.83
SCHEMBL14087223 0.83
SCHEMBL19256280 0.81
SCHEMBL55792 0.80
SCHEMBL15471499 0.80
Methyl Alcohol SCHEMBL3833898 0.79 CYP3A4 (0.43) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
Chloromethane SCHEMBL4688989 0.79 CYP3A4 (0.39) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL11177573 0.70 CYP3A4 (0.55) CYP3A4ALDH1A1FTH1CYP2C9CYP2C19
SCHEMBL15484174 0.67

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-20230174548-A1 SYMBIOTIC PRODRUGS FOR THE TREATMENT OF CANCER AND OTHER DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 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-20230174548-A1 SYMBIOTIC PRODRUGS FOR THE TREATMENT OF CANCER AND OTHER DISEASES NFKBIA, NFRKB, IKBKB CYP3A4 2771/4885ALDH1A1 2443/4885FTH1 4015/4885

“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.