SCHEMBL803835

SCHEMBL803835

CC(C)(CC(=O)O)C(=O)N[C@H]1CC[C@H](C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
SSTR4 P31391 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADRA2A P08913 1/20 0.38
PKM P14618 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 5/20 0.36

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
SCHEMBL15906245 0.82 EPHX1 (0.47) EPHX1SSTR4ALDH1A1SMN1; SMN2ADRA2A
SCHEMBL13476548 0.81 PKM (0.37) EPHX1SSTR4ALDH1A1PKMPDK1
SCHEMBL14032653 0.81 BTK (0.39) EPHX1SSTR4ALDH1A1PDK1PDK2
SCHEMBL14655013 0.81 EPHX1 (0.46) EPHX1SSTR4ALDH1A1SMN1; SMN2ADRA2A
SCHEMBL15906238 0.81 EPHX1 (0.46) EPHX1SSTR4ALDH1A1SMN1; SMN2ADRA2A
Hydrochloric Acid SCHEMBL29904533 0.80 EPHX1 (0.52) EPHX1ALDH1A1SMN1; SMN2ADRA2APKM
SCHEMBL14654940 0.79 EPHX1 (0.44) EPHX1SSTR4ALDH1A1SMN1; SMN2ADRA2A
SCHEMBL15906218 0.78 EPHX1 (0.43) EPHX1SSTR4ALDH1A1SMN1; SMN2ADRA2A
SCHEMBL26140573 0.77 EPHX1 (0.53) EPHX1ALDH1A1SMN1; SMN2ADRA2APKM
SCHEMBL13246733 0.77 EPHX1 (0.53) EPHX1ALDH1A1SMN1; SMN2ADRA2APKM

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX1 3653/4885SSTR4 3436/4885ALDH1A1 750/4885

“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.