SCHEMBL10193441

SCHEMBL10193441

CCn1c(-c2ccc(OCCOC)cc2)c(C#N)c2ccc(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.44
GRIK1 P39086 1/20 0.44
ESR1 P03372 3/20 0.39
PTGER4 P35408 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MET P08581 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAOA P21397 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL984730 0.91 GRIK2 (0.49) GRIK2GRIK1ESR1L3MBTL1SMN1; SMN2
SCHEMBL10193447 0.90 GRIK2 (0.42) GRIK2GRIK1ESR1L3MBTL1SMN1; SMN2
SCHEMBL10193452 0.89 GRIK2 (0.41) GRIK2GRIK1ESR1L3MBTL1SMN1; SMN2
SCHEMBL10193446 0.89 GRIK2 (0.41) GRIK2GRIK1ESR1L3MBTL1SMN1; SMN2
SCHEMBL10193531 0.89 GRIK2 (0.44) GRIK2GRIK1ESR1L3MBTL1LMNA
SCHEMBL10096632 0.87 GRIK2 (0.40) GRIK2GRIK1ESR1L3MBTL1LMNA
SCHEMBL10097238 0.84 GRIK2 (0.56) GRIK2GRIK1L3MBTL1SMN1; SMN2LMNA
SCHEMBL10193460 0.83 GRIK2 (0.37) GRIK2GRIK1ESR1L3MBTL1ALDH1A1
SCHEMBL10193451 0.83 ALDH1A1 (0.42) GRIK2GRIK1ESR1SMN1; SMN2HTT
SCHEMBL10193457 0.83 MTNR1A (0.43) ESR1L3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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 (2 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS GRIK2 3701/4885GRIK1 3372/4885ESR1 2188/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885ESR1 4618/4885

“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.