SCHEMBL5886907

SCHEMBL5886907

CCOc1ccc(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
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NQO1 P15559 1/20 0.35
MAPT P10636 3/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
EIF4E P06730 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5887318 0.89 BCL2L1 (0.37) BCL2L1MCL1FFAR1FFAR4NQO1
SCHEMBL5887082 0.81 CLK4 (0.35) BCL2L1MCL1MAPTTDP1KDM4E
SCHEMBL5886910 0.80 HSD17B10 (0.38) SLC6A3MEN1KMT2A
SCHEMBL5887415 0.77 AHR (0.38) MAPTSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL4009248 0.74 CDC25A (0.44) NQO1MAPTTDP1SMN1; SMN2MEN1
SCHEMBL5887298 0.74 RAD51 (0.40) MAPT
SCHEMBL5887524 0.73 RAD51 (0.37) MAPTSMN1; SMN2
SCHEMBL5887338 0.72 EGFR (0.41) MAPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5887317 0.70 ALOX5 (0.39) MCL1MAPTTDP1SMN1; SMN2MEN1
SCHEMBL5887388 0.70 BACE1 (0.42) MCL1MAPTTDP1SMN1; SMN2MEN1

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 BCL2L1 3037/4885MCL1 3824/4885FFAR1 236/4885

“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.