SCHEMBL4803296

SCHEMBL4803296

Cc1ccc(-c2[c]c(-c3ccc(Cl)cc3)c3ccccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP2A6 P11509 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
GPR84 Q9NQS5 2/20 0.35
CDC25B P30305 1/20 0.34
UBE2I P63279 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GRM5 P41594 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL4810852 0.92 ALDH1A1 (0.41) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL4810212 0.87 KDM4E (0.40) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL5887573 0.86 KDM4E (0.41) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL2853501 0.84 ALDH1A1 (0.38) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL5886864 0.82 KIF11 (0.38) KDM4EALDH1A1CYP1A2CYP2A6GPR84
SCHEMBL1035955 0.79 ALDH1A1 (0.40) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL6400555 0.76 ESR1 (0.43) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL5886881 0.76 KDM4E (0.48) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL10352837 0.73 ALDH1A1 (0.41) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL5887228 0.71 MEN1 (0.40) KDM4EALDH1A1MAPTTDP1MEN1

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 7 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 claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 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 (4 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 3706/4885ALDH1A1 1572/4885MAPT 2577/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR KDM4E 3601/4885ALDH1A1 2402/4885MAPT 4740/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 KDM4E 4599/4885ALDH1A1 597/4885MAPT 4782/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R KDM4E 3040/4885ALDH1A1 1501/4885MAPT 4745/4885

“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.