SCHEMBL24311640

SCHEMBL24311640

CNC(Cc1ccc(I)cc1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
FPR2 P25090 3/20 0.43
APEX1 P27695 1/20 0.43
PMP22 Q01453 1/20 0.43
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DPP4 P27487 1/20 0.38
MMP2 P08253 1/20 0.38
ALB P02768 4/20 0.38
ALDH1A1 P00352 1/20 0.37
IL2 P60568 1/20 0.36
SRC P12931 1/20 0.36
ZAP70 P43403 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
SCHEMBL24311576 1.00 CYP1A2 (0.44) CYP1A2CYP2D6FPR2APEX1PMP22
SCHEMBL1325154 0.86 FPR2 (0.54) CYP1A2CYP2D6FPR2APEX1PMP22
SCHEMBL1325155 0.86 FPR2 (0.54) CYP1A2CYP2D6FPR2APEX1PMP22
Hydrochloric Acid SCHEMBL2521612 0.84 FPR2 (0.52) CYP1A2CYP2D6FPR2APEX1PMP22
SCHEMBL14037245 0.84 FPR2 (0.46) CYP1A2CYP2D6FPR2APEX1PMP22
SCHEMBL8717678 0.84 FPR2 (0.46) CYP1A2CYP2D6FPR2APEX1PMP22
SCHEMBL12668874 0.84 ACACB (0.46) ESR1ESR2ALDH1A1
SCHEMBL16327905 0.84 ESR1 (0.40) ESR1ESR2ALDH1A1
SCHEMBL9886030 0.84 ACACB (0.46) ESR1ESR2ALDH1A1
SCHEMBL7637685 0.84 ESR1 (0.56) ESR1ESR2

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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS CYP1A2 140/4885CYP2D6 101/4885FPR2 3191/4885

“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.