SCHEMBL3451992

SCHEMBL3451992

COc1ccc(C#CC(=O)c2ccccc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
S1PR2 O95136 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APP P05067 1/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3451990 0.87 VCP (0.54) VCPALDH1A1HTTS1PR2HSP90AA1
SCHEMBL9192315 0.79 ALDH1A1 (0.50) VCPALDH1A1HTTS1PR2HSP90AA1
SCHEMBL10069797 0.77 APP (0.72) VCPALDH1A1HTTS1PR2HSP90AA1
SCHEMBL30054980 0.77 ALDH1A1 (0.56) VCPALDH1A1HTTS1PR2HSP90AA1
SCHEMBL27167221 0.77 ALDH1A1 (0.56) VCPALDH1A1HTTS1PR2HSP90AA1
SCHEMBL28359074 0.75 VCP (0.59) VCPALDH1A1HTTS1PR2HSP90AA1
SCHEMBL1534428 0.75 HSP90AA1 (0.51) VCPALDH1A1HTTS1PR2HSP90AA1
SCHEMBL12273407 0.74 HSP90AA1 (0.48) ALDH1A1HTTHSP90AA1MAPTNPSR1
SCHEMBL9365255 0.74 CYP1A2 (0.67) ALDH1A1HTTMAPTKMT2ANPC1
SCHEMBL30055393 0.74 HSP90AA1 (0.60) VCPALDH1A1HTTS1PR2HSP90AA1

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-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS VCP 1375/4885ALDH1A1 3580/4885HTT 2829/4885

“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.