SCHEMBL5887645

SCHEMBL5887645

COc1ccc(C2=C(C)C(c3ccc(Cl)c(Cl)c3)=CC[CH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.37
EGFR P00533 3/20 0.37
GUSB P08236 1/20 0.36
RAD1 O60671 1/20 0.35
MAPT P10636 2/20 0.35
OPRK1 P41145 1/20 0.35
TEK Q02763 1/20 0.35
BCL2A1 Q16548 1/20 0.34
MAOB P27338 1/20 0.34
SRC P12931 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 1/20 0.34
AHR P35869 1/20 0.34
TP53 P04637 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 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
SCHEMBL5887298 0.88 RAD51 (0.40) RAD51EGFRGUSBRAD1MAPT
SCHEMBL5887524 0.86 RAD51 (0.37) RAD51EGFRGUSBRAD1MAPT
SCHEMBL5886907 0.86 BCL2L1 (0.36) MAPTSMN1; SMN2
SCHEMBL5887388 0.85 BACE1 (0.42) MAPTSMN1; SMN2TP53DYRK1ACLK4
SCHEMBL5887338 0.85 EGFR (0.41) RAD51EGFRGUSBRAD1MAPT
SCHEMBL5887317 0.85 ALOX5 (0.39) EGFRMAPTHPGDSMN1; SMN2TP53
SCHEMBL5886910 0.83 HSD17B10 (0.38) EGFRSRCAHR
SCHEMBL5887082 0.81 CLK4 (0.35) RAD51EGFRGUSBMAPTOPRK1
SCHEMBL5887174 0.80 MAPT (0.39) RAD51EGFRGUSBMAPTMAOB
SCHEMBL5887415 0.80 AHR (0.38) EGFRMAPTMAOBAHR

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 RAD51 2282/4885EGFR 563/4885GUSB 4701/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R RAD51 1217/4885EGFR 122/4885GUSB 4637/4885

“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.