SCHEMBL5886847

SCHEMBL5886847

COc1ccc(-c2[c]c(-c3ccc(Cl)c(Cl)c3)cc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ACACA Q13085 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CDC25B P30305 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL5886881 0.88 KDM4E (0.48) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5887230 0.85 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5887333 0.82 LTA4H (0.49) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5887573 0.80 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL5886872 0.78 MAPT (0.48) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5887390 0.74 ABL1 (0.37) KDM4EMAPTALOX5GPR84ADORA2A
SCHEMBL4810852 0.71 ALDH1A1 (0.41) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1035955 0.70 ALDH1A1 (0.40) KDM4EMAPTALDH1A1HPGDTDP1
SCHEMBL2092168 0.70 AHR (0.61) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL9321072 0.68 CYP1A2 (0.46) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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 KDM4E 3706/4885MAPT 2577/4885ALDH1A1 1572/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R KDM4E 3040/4885MAPT 4745/4885ALDH1A1 1501/4885

“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.