SCHEMBL5887296

SCHEMBL5887296

ClC1=C(c2cc(Cl)ccc2Cl)[CH]CC=C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.37
TP53 P04637 1/20 0.37
CYP1B1 Q16678 1/20 0.33
PTPN11 Q06124 1/20 0.33
IDO1 P14902 1/20 0.33
EIF4E P06730 1/20 0.32
CNR2 P34972 1/20 0.32
HTR2B P41595 1/20 0.31
PDE4D Q08499 1/20 0.31
NOTUM Q6P988 1/20 0.31
CNR1 P21554 1/20 0.31
PTPN1 P18031 1/20 0.31
PGR P06401 1/20 0.30
ALKBH3 Q96Q83 1/20 0.30

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
SCHEMBL5887026 0.90 AHR (0.40) AHRTP53CYP1B1EIF4ENOTUM
SCHEMBL5887211 0.85 CYP2A6 (0.40) HTR2BPDE4DCNR1PTPN1
SCHEMBL5887212 0.75 ALKBH3 (0.39) AHRCYP1B1ALKBH3
SCHEMBL5887298 0.74 RAD51 (0.40) AHRTP53ALKBH3
SCHEMBL5887318 0.71 BCL2L1 (0.37) AHREIF4E
SCHEMBL4445026 0.71 AHR (0.67) AHRTP53CYP1B1PTPN11IDO1
SCHEMBL5886910 0.67 HSD17B10 (0.38) AHRCYP1B1
SCHEMBL4811189 0.66 PTGS2 (0.38)
SCHEMBL5887415 0.66 AHR (0.38) AHRCYP1B1ALKBH3
SCHEMBL5887524 0.65 RAD51 (0.37) AHRTP53

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 2 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-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 (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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R AHR 16/4885TP53 4563/4885CYP1B1 206/4885

“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.