SCHEMBL5886940

SCHEMBL5886940

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.40
RAD1 O60671 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
EGFR P00533 3/20 0.37
GUSB P08236 1/20 0.36
MAPT P10636 2/20 0.35
TEK Q02763 1/20 0.35
BCL2A1 Q16548 1/20 0.34
SRC P12931 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AHR P35869 2/20 0.34
CYP1B1 Q16678 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
RPA1 P27694 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
SCHEMBL5886968 0.80 ALKBH3 (0.39) EGFRMAPTHPGDSMN1; SMN2AHR
SCHEMBL5886946 0.77 LTA4H (0.50) MAPTSMN1; SMN2
SCHEMBL5887645 0.76 RAD51 (0.37) RAD51RAD1EGFRGUSBMAPT
SCHEMBL2092168 0.72 AHR (0.61) RAD51GUSBTEKSMN1; SMN2AHR
SCHEMBL5887214 0.69 RAD51 (0.46) RAD51RAD1EDNRBEDNRAEGFR
SCHEMBL5887298 0.69 RAD51 (0.40) RAD51RAD1EDNRBEDNRAEGFR
SCHEMBL5887386 0.68 RAD51 (0.36) RAD51RAD1EDNRBEDNRAEGFR
SCHEMBL5887524 0.68 RAD51 (0.37) RAD51RAD1EDNRBEDNRAEGFR
SCHEMBL5887087 0.67 RAD51 (0.41) RAD51RAD1EDNRBEDNRAEGFR
SCHEMBL5887338 0.67 EGFR (0.41) RAD51RAD1EDNRBEDNRAEGFR

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 2282/4885RAD1 2432/4885EDNRB 717/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R RAD51 1217/4885RAD1 1222/4885EDNRB 264/4885

“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.