SCHEMBL22856952

SCHEMBL22856952

CCCCCCC(CCCC)CNC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.54
ADH1A P07327 5/20 0.54
ADH1C P00326 4/20 0.54
ADH7 P40394 4/20 0.54
ADH4 P08319 2/20 0.54
EPHX1 P07099 1/20 0.54
LMNA P02545 1/20 0.48
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
DNM1 Q05193 2/20 0.38
FAAH O00519 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9796943 0.98 ADH1B (0.56) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3140921 0.98 ADH1B (0.56) ADH1BADH1AADH1CADH7ADH4
SCHEMBL24013259 0.94 TSHR (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL277243 0.92 ADH1B (0.48) ADH1BADH1AADH1CADH7ADH4
SCHEMBL8309459 0.88 TSHR (0.57) ADH1BADH1AADH1CADH7ADH4
SCHEMBL23252961 0.87 TRPV1 (0.53) LMNATSHRCYP3A4ALDH1A1PPARD
SCHEMBL79568 0.86 TSHR (0.65) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19390461 0.85 TRPV1 (0.54) LMNATSHRCYP3A4ALDH1A1PPARD
SCHEMBL23640558 0.84 ADH1B (0.72) ADH1BADH1AADH1CADH7ADH4
SCHEMBL23640543 0.82 ADH1B (0.69) ADH1BADH1AADH1CADH7ADH4

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 ADH1B 3365/4885ADH1A 4194/4885ADH1C 4316/4885

“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.