SCHEMBL18630239

SCHEMBL18630239

CCCC(C)(C)N1CCCC1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
SPHK1 Q9NYA1 3/20 0.32
SPHK2 Q9NRA0 2/20 0.32
FKBP1A P62942 1/20 0.31

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
SCHEMBL18630157 0.91 BCHE (0.40) BCHELMNAPOLBSPHK1SPHK2
SCHEMBL21042965 0.85 LMNA (0.45) LMNAHSD17B10CYP2C19
SCHEMBL10205021 0.79 HSD17B10 (0.37) BCHELMNASMN1; SMN2HSD17B10CYP2C19
SCHEMBL8235608 0.79 HSD17B10 (0.37) BCHELMNASMN1; SMN2HSD17B10CYP2C19
SCHEMBL4898829 0.79 HSD17B10 (0.37) BCHELMNASMN1; SMN2HSD17B10CYP2C19
SCHEMBL1074624 0.78 DPP4 (0.38) LMNASMN1; SMN2HSD17B10CYP2C19
Hydrochloric Acid SCHEMBL7302950 0.78 HSD17B10 (0.36) LMNASMN1; SMN2HSD17B10CYP2C19ALDH1A1
SCHEMBL8197074 0.76 LMNA (0.43) LMNAHSD17B10CYP2C19
SCHEMBL4901400 0.74 EPHX1 (0.35) LMNASMN1; SMN2HSD17B10CYP2C19ALDH1A1
SCHEMBL5576808 0.73 DPP4 (0.35) LMNASMN1; SMN2HSD17B10CYP2C19POLB

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-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 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-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 BCHE 1198/4885LMNA 1941/4885SMN1; SMN2 601/4885

“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.