SCHEMBL895908

SCHEMBL895908

CCC(C(=O)O)c1cccc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.40
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
AKR1C1 Q04828 1/20 0.39
PTGS1 P23219 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
GBA1 P04062 1/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
CYP1A2 P05177 1/20 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
SCHEMBL13620409 0.82 HTT (0.42) HTTRECQLP2RX7POLBRAB9A
SCHEMBL7230001 0.81 CPB2 (0.44) AKR1C3AKR1C2AKR1C1PTGS1KDM4E
SCHEMBL1813215 0.81 IRAK4 (0.41) HTTAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL1400599 0.81 CTSA (0.39) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL6418756 0.79 KCNH2 (0.43) HTTAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL3638163 0.78 HTT (0.50) HTTRECQLP2RX7RAB9AMEN1
SCHEMBL17921346 0.77 HTT (0.49) HTTRECQLP2RX7POLBRAB9A
SCHEMBL3743365 0.77 RECQL (0.49) HTTRECQLP2RX7RAB9AAKR1C3
SCHEMBL27516287 0.74 RAB9A (0.50) HTTRECQLP2RX7RAB9AMEN1
SCHEMBL1579296 0.74 HTT (0.42) HTTRECQLP2RX7RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK HTT 2390/4885RECQL 1884/4885P2RX7 428/4885

“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.