SCHEMBL25721027

SCHEMBL25721027

CC(C)CC(CC(C)C)CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL8754497 0.94 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1CACNA2D1CACNB3
SCHEMBL171394 0.86 TRPM8 (0.30)
SCHEMBL20755809 0.86 PIK3CD (0.30)
SCHEMBL21025063 0.84 TSHR (0.38) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL22198561 0.78 ALDH1A1 (0.37) ALDH1A1TSHRCA2
SCHEMBL9743519 0.75 HTR2A (0.36)
SCHEMBL24892891 0.75
SCHEMBL13412952 0.75 TSHR (0.33) ALDH1A1TSHRMAPK1ADRA1ACA12
SCHEMBL12039746 0.75 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL23969637 0.73 HTR2A (0.33) ALDH1A1TSHRMAPK1

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-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 ALDH1A1 4468/4885TSHR 823/4885MAPK1 3271/4885
US-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 ALDH1A1 900/4885TSHR 1282/4885MAPK1 4069/4885

“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.