SCHEMBL5887082

SCHEMBL5887082

CCOC1=C(c2ccc(OC)cc2)[CH]CC=C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
TEK Q02763 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAD51 Q06609 1/20 0.34

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
SCHEMBL5887524 0.89 RAD51 (0.37) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL5887298 0.82 RAD51 (0.40) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL5887318 0.81 BCL2L1 (0.37) NPC1RAB9AMAPTTDP1PPARG
SCHEMBL5887645 0.81 RAD51 (0.37) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL5887277 0.81 LTA4H (0.45) NPC1ALDH1A1LMNATSHRRAB9A
SCHEMBL5886907 0.81 BCL2L1 (0.36) NPC1RAB9AMAPTTDP1PPARG
SCHEMBL5887338 0.80 EGFR (0.41) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL5887174 0.75 MAPT (0.39) ALDH1A1LMNAHTR7MAPTRAD51
SCHEMBL5887283 0.74 BACE1 (0.42) CLK4NPC1RAB9AMAPTTDP1
SCHEMBL5887462 0.74 EGFR (0.33) CLK4CLK1CLK2DYRK1ADYRK1B

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-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (2 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R CLK4 2886/4885CLK1 2543/4885CLK2 2338/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CLK4 2773/4885CLK1 2292/4885CLK2 2243/4885

“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.