SCHEMBL12376562

SCHEMBL12376562

CC(C)C#CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DPP4 P27487 1/20 0.40

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
SCHEMBL12820311 0.83 HPGD (0.53) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL15203221 0.81 HPGD (0.51) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL23166521 0.80 HPGD (0.45) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL29059714 0.80 HPGD (0.50) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL31586656 0.80 HPGD (0.50) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL311155 0.79 HPGD (0.55) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL4052689 0.79 HPGD (0.55) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL6456079 0.79 HPGD (0.49) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL30381534 0.79 HPGD (0.49) HPGDRECQLEPHX1MAPTALDH1A1
SCHEMBL28660196 0.79 RECQL (0.50) HPGDRECQLEPHX1MAPTALDH1A1

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HPGD 1640/4885RECQL 2381/4885EPHX1 2585/4885

“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.