SCHEMBL10141271

SCHEMBL10141271

CCOCCCCNC(=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HPGD P15428 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL23442445 0.98 TSHR (0.50) TSHRHPGDKDM4EALDH1A1KMT2A
SCHEMBL10085309 0.94 TSHR (0.57) TSHRHPGDKDM4EALDH1A1KMT2A
SCHEMBL12112072 0.91 TSHR (0.54) TSHRHPGDKDM4EALDH1A1KMT2A
SCHEMBL22799828 0.87 DPP7 (0.50) KMT2AEPHX2MEN1
SCHEMBL3713361 0.86 KMT2A (0.57) TSHRHPGDKDM4EALDH1A1KMT2A
SCHEMBL22856377 0.86 EPHX2 (0.46) TSHRHPGDKDM4EALDH1A1KMT2A
SCHEMBL23807034 0.86 EPHX1 (0.50) TSHREPHX2
SCHEMBL22906472 0.85 EPHX2 (0.48) TSHRALDH1A1KMT2AEPHX2MEN1
SCHEMBL22794783 0.84 MMP8 (0.49) KMT2AHTTMEN1
SCHEMBL21107013 0.84 MMP8 (0.49) KMT2AHTTMEN1

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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885HPGD 1806/4885KDM4E 1193/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885HPGD 1806/4885KDM4E 1193/4885

“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.