SCHEMBL12545839

SCHEMBL12545839

Cc1ccc(C(=O)N2CCCC2)cc1C(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.63
TSHR P16473 1/20 0.61
PLA2G7 Q13093 1/20 0.58
HSP90AA1 P07900 3/20 0.56
HSP90AB1 P08238 3/20 0.56
CNR2 P34972 1/20 0.55
POLB P06746 1/20 0.55
ATM Q13315 1/20 0.55
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL12546068 0.97 HPGD (0.59) HPGDTSHRPLA2G7HSP90AA1HSP90AB1
SCHEMBL19185792 0.88 HPGD (0.59) HPGDTSHRPLA2G7HSP90AA1HSP90AB1
SCHEMBL12545945 0.87 HSP90AA1 (0.75) HPGDHSP90AA1HSP90AB1POLBKMT2A
SCHEMBL18929889 0.86 HPGD (0.60) HPGDTSHRPLA2G7HSP90AA1HSP90AB1
SCHEMBL24746239 0.83 HSP90AA1 (0.55) HPGDTSHRPLA2G7HSP90AA1HSP90AB1
SCHEMBL12569383 0.82 HPGD (0.73) HPGDTSHRPLA2G7CNR2POLB
SCHEMBL14232145 0.81 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL19651827 0.81 HPGD (0.65) HPGDTSHRHSP90AA1HSP90AB1POLB
SCHEMBL17689127 0.80 HPGD (0.73) HPGDTSHRPLA2G7CNR2POLB
SCHEMBL15044968 0.80 MEN1 (0.54) HPGDTSHRPLA2G7HSP90AA1HSP90AB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022133037-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-06-23 WO disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HPGD 3092/4885TSHR 2827/4885PLA2G7 487/4885

“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.