SCHEMBL23765253

SCHEMBL23765253

CC(C)(C)[C@H]1CCC(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 7/20 0.33
CHRM1 P11229 7/20 0.33
CHRM3 P20309 7/20 0.33
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL11932071 1.00 ALDH1A1 (0.33) ALDH1A1TDP1CHRM2CHRM1CHRM3
SCHEMBL23765298 1.00 ALDH1A1 (0.33) ALDH1A1TDP1CHRM2CHRM1CHRM3
SCHEMBL25520261 0.86
SCHEMBL2125652 0.84 ALDH1A1 (0.36) ALDH1A1TDP1USP2GAAMAPT
SCHEMBL20900595 0.81 CHRM2 (0.31) ALDH1A1TDP1CHRM2CHRM1CHRM3
SCHEMBL20381734 0.81 CHRM2 (0.31) ALDH1A1TDP1CHRM2CHRM1CHRM3
SCHEMBL1091004 0.78 APLNR (0.33)
SCHEMBL17465649 0.78 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL20402853 0.78 CHRM2 (0.32) CHRM2CHRM1CHRM3
SCHEMBL22623987 0.78 KDM4E (0.41) CHRM2CHRM1CHRM3GAA

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-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 PELOTON THERAPEUTICS, INC. (US) 2021-08-19 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 (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-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 ENTPD5, NT5E, ENTPD1 ALDH1A1 868/4885TDP1 342/4885CHRM2 1093/4885

“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.