SCHEMBL22856972

SCHEMBL22856972

CCCCCCC(C)(CCCCCC)Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNNC1 P63316 5/20 0.39
S1PR1 P21453 2/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL25825947 0.98 LMNA (0.46) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL25826743 0.93 CYP1A2 (0.43) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL25827992 0.89 CYP1A2 (0.41) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL21116081 0.84 BDKRB2 (0.39) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL22856954 0.81 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19CNR2TAAR1
SCHEMBL21115738 0.79 SLC6A4 (0.38) LMNATNNC1S1PR1SGPL1S1PR4
SCHEMBL25825352 0.78 CYP1A2 (0.43) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL20706282 0.77 TSHR (0.58) L3MBTL1TNNC1S1PR1SGPL1S1PR4
SCHEMBL4191545 0.77 ESR1 (0.63) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL3178688 0.77 ESR1 (0.63) LMNACYP1A2CYP2D6CYP2C19NPC1

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 LMNA 3766/4885CYP1A2 3426/4885CYP2D6 2577/4885

“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.