SCHEMBL22856969

SCHEMBL22856969

Cc1ccc(CSCC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
IDO1 P14902 3/20 0.44
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL18973872 0.91 CYP2D6 (0.42) ACEGAA
SCHEMBL915196 0.81 IDO1 (0.54) IDO1RECQLALDH1A1GAAACHE
SCHEMBL11711886 0.81 CYP2D6 (0.53) ACEIDO1RECQLALDH1A1GAA
SCHEMBL8257896 0.81 ACE (0.48) ACEIDO1KMT2AALDH1A1BCHE
SCHEMBL9906029 0.80 ACE (0.46) ACEPPARGPPARA
Ammonia Solution, Strong SCHEMBL7247404 0.79 CYP2D6 (0.56) ACEIDO1MEN1KMT2AALDH1A1
SCHEMBL18313729 0.79 TSHR (0.38) ACEIDO1GAAPPARGPPARA
SCHEMBL8260553 0.79 SLC6A4 (0.50) ACE
SCHEMBL18313733 0.79 ACE (0.38) ACEHTT
SCHEMBL22856970 0.78 GAA (0.52) ACEIDO1ALDH1A1GAAPPARG

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-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen BRITISH COLUMBIA CANCER AGENCY BRANCH 2021-01-05 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-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen KLK3, FOLH1, FOLR1 ACE 4292/4885IDO1 4110/4885RECQL 4216/4885

“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.