SCHEMBL3073022

SCHEMBL3073022

CCCCCCCCCCCC(N)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.43
FDPS P14324 2/20 0.43
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
OPRM1 P35372 1/20 0.39
DNM1 Q05193 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
GGPS1 O95749 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
SCHEMBL641726 1.00 SMPD1 (0.43) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL4260580 1.00 SMPD1 (0.43) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL641208 0.97 FDPS (0.41) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL504337 0.90 FDPS (0.39) SMPD1FDPSTSHRTHRBOPRM1
Ammonia Solution, Strong SCHEMBL28391001 0.87 FDPS (0.38) SMPD1FDPSTSHROPRM1
SCHEMBL6568281 0.81 SMPD1 (0.45) SMPD1FDPSTSHRTHRBOPRM1
SCHEMBL3676595 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1
SCHEMBL9422192 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1
SCHEMBL123833 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1
SCHEMBL3677155 0.81 FDPS (0.45) SMPD1FDPSSPHK1GGPS1

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-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASE SE (DE) 2010-10-21 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-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS LIPA, IDE, CEL SMPD1 1822/4885FDPS 3515/4885TSHR 3700/4885

“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.