SCHEMBL27409352

SCHEMBL27409352

CCCCCCC(C)(/C=C/C(N)=O)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.39
SMPD1 P17405 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CES2 O00748 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 1/20 0.39
GGPS1 O95749 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL18743152 0.98 FDPS (0.38) FDPSSMPD1CYP1A2CYP3A4CYP2C19
SCHEMBL20798602 0.81 HCAR2 (0.43) CYP1A2CYP3A4CYP2C19CES2MEN1
SCHEMBL18743347 0.79 HCAR2 (0.40) CYP3A4CES2MEN1TP53SOAT1
SCHEMBL6450425 0.74 HCAR2 (0.41) CYP1A2CYP3A4CYP2C19CES2GMNN
SCHEMBL21470888 0.73 ZDHHC20 (0.38) CYP1A2CYP3A4CYP2C19CES2MEN1
SCHEMBL10701256 0.72 LMNA (0.39) FDPSCYP3A4HSD17B10
SCHEMBL7104154 0.71 FDPS (0.47) FDPSSMPD1CES2GGPS1
SCHEMBL547320 0.71 FDPS (0.47) FDPSSMPD1CES2GGPS1
SCHEMBL3969522 0.71 FDPS (0.47) FDPSSMPD1CES2GGPS1
SCHEMBL310552 0.71 FDPS (0.47) FDPSSMPD1CES2GGPS1

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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 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-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD FDPS 1174/4885SMPD1 439/4885CYP1A2 1645/4885

“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.