SCHEMBL5887361

SCHEMBL5887361

COc1ccc(C2=C(C(F)(F)F)[CH]CC=C2c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.40
RAD1 O60671 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGFR P00533 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GUSB P08236 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 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
SCHEMBL5887446 0.81 ALKBH3 (0.39) RAD51EGFRALKBH3
SCHEMBL5887218 0.79 LTA4H (0.46) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5887298 0.76 RAD51 (0.40) RAD51RAD1EGFRGUSBEDNRB
SCHEMBL5887462 0.76 EGFR (0.33) RAD51RAD1KDM4ENPC1ALDH1A1
SCHEMBL5887645 0.75 RAD51 (0.37) RAD51RAD1SMN1; SMN2EGFRGUSB
SCHEMBL5887524 0.75 RAD51 (0.37) RAD51RAD1SMN1; SMN2EGFRGUSB
SCHEMBL5887338 0.74 EGFR (0.41) RAD51RAD1EGFRGUSBEDNRB
SCHEMBL5887386 0.72 RAD51 (0.36) RAD51RAD1KDM4ENPC1ALDH1A1
SCHEMBL5887168 0.71 RAD51 (0.39) RAD51RAD1KDM4ENPC1ALDH1A1
SCHEMBL5887082 0.71 CLK4 (0.35) RAD51KDM4ENPC1ALDH1A1RAB9A

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 2432/4885KDM4E 3706/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R RAD51 1217/4885RAD1 1222/4885KDM4E 3040/4885

“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.