SCHEMBL4807540

SCHEMBL4807540

Cc1ccc(-c2[c]ccc(-c3ccc4c(c3)OCO4)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CD274 Q9NZQ7 3/20 0.42
PDCD1 Q15116 2/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 2/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5887282 0.87 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8988345 0.75 MAPT (0.67) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5887207 0.74 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8638641 0.73 MAPT (0.39) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5887226 0.73 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5886796 0.73 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL14003406 0.71 KDM4E (0.54) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5907505 0.70 MAOB (0.42) MAPTALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL9738660 0.70 KDM4E (0.41) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL5886966 0.70 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2KDM4ENPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 MAPT 2577/4885ALDH1A1 1572/4885SMN1; SMN2 1459/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MAPT 4740/4885ALDH1A1 2402/4885SMN1; SMN2 4470/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 MAPT 4782/4885ALDH1A1 597/4885SMN1; SMN2 4607/4885

“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.