SCHEMBL10162836

SCHEMBL10162836

CCC(CC)[C@@H](C(C)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
KMT2A Q03164 2/20 0.47
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
HPGD P15428 2/20 0.40
CHRM5 P08912 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SRC P12931 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL20336552 1.00 CYP2D6 (0.50) CYP2D6KMT2ALMNAPOLBMEN1
SCHEMBL20336550 1.00 CYP2D6 (0.50) CYP2D6KMT2ALMNAPOLBMEN1
SCHEMBL67127 0.86 CYP2D6 (0.64) CYP2D6KMT2ALMNAPOLBMEN1
SCHEMBL5608251 0.83 CYP2D6 (0.64) CYP2D6KMT2ALMNAPOLBMTNR1A
SCHEMBL12924873 0.79 KMT2A (0.72) CYP2D6KMT2ALMNAPOLBMEN1
SCHEMBL1099218 0.79 LMNA (0.58) KMT2ALMNAPOLBMEN1HSD17B10
SCHEMBL13020177 0.79 LMNA (0.58) KMT2ALMNAPOLBMEN1HSD17B10
SCHEMBL13389213 0.79 LMNA (0.58) KMT2ALMNAPOLBMEN1HSD17B10
SCHEMBL11191827 0.79 CYP2D6 (0.41) CYP2D6KMT2ALMNAPOLBMEN1
SCHEMBL8283809 0.77 CYP2D6 (0.56) CYP2D6KMT2ALMNAMEN1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 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-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2D6 1861/4885KMT2A 4516/4885LMNA 3159/4885

“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.