SCHEMBL10147112

SCHEMBL10147112

COCCC1c2ccc(C)cc2-c2ccc(C)cc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL8917213 0.78 MAOA (0.37) SMN1; SMN2MAOAMAOBCHRNB2CHRNA4
SCHEMBL10120022 0.78 LMNA (0.40) LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL1452779 0.75 PGR (0.38) MAOAMAOBMEN1ALDH1A1KMT2A
SCHEMBL15800627 0.72 CA1 (0.42) LMNAMEN1ALDH1A1KMT2AELANE
SCHEMBL9544149 0.72 TDO2 (0.36) MAOAMAOBCHRNB2CHRNA4MEN1
Hydrochloric Acid SCHEMBL7609388 0.71 HTR2A (0.42) PPIALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL27375941 0.69 HTR2A (0.44) PPIALMNAMEN1ALDH1A1KMT2A
SCHEMBL1451517 0.69 PGR (0.38) MAOAMAOBMEN1ALDH1A1KMT2A
SCHEMBL17067722 0.68 CNR1 (0.38) HTTSMN1; SMN2
SCHEMBL31367791 0.68 PPARD (0.36) LMNAALDH1A1

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 PPIA 851/4885LMNA 821/4885HTT 4372/4885

“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.