SCHEMBL4089002

SCHEMBL4089002

CC=CC(OCC)=C(C#N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTP4A1 Q93096 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL3660855 0.82 CYP2C9 (0.44) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL3660857 0.82 CYP2C9 (0.44) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL12894799 0.72 CYP2C9 (0.47) ALDH1A1TSHRCYP2C9L3MBTL1KDM4E
SCHEMBL601377 0.72 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL4525123 0.72 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL601376 0.72 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL508464 0.71 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL188482 0.71 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL4642638 0.71 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9HCAR2L3MBTL1
SCHEMBL25883401 0.70 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C9L3MBTL1KDM4E

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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO 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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT ALDH1A1 116/4885TSHR 4375/4885CYP2C9 590/4885

“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.