SCHEMBL10089110

SCHEMBL10089110

C=CCCCC(C(=O)OC(C)(C)C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL806095 0.91 TSHR (0.33) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL16418495 0.83 MAPT (0.47) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL16421121 0.83 MAPT (0.47) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL27163466 0.81 MAPT (0.38) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL2221417 0.80 MAPT (0.44) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL2221420 0.80 MAPT (0.44) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL7914583 0.80 MAPT (0.44) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL11066540 0.79 LMNA (0.35) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL29277716 0.76 CA2 (0.43) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL27810719 0.76 MAPT (0.40) USP2CYP3A4MAPTSMN1; SMN2ALDH1A1

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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012037259-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-22 WO 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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF USP2 1172/4885CYP3A4 2025/4885MAPT 4380/4885

“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.