SCHEMBL17618085

SCHEMBL17618085

CCN1CCN(C(=O)N(Cc2ccc(C(=O)OC)cc2)c2cccc(C)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
FAAH O00519 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL17618086 0.90 RAB9A (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL17618079 0.88 MEN1 (0.47) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL16211693 0.87 OPRM1 (0.43) ALDH1A1KDM4E
SCHEMBL16211730 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL17618088 0.83 KDM4E (0.37) ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL17618087 0.82 KMT2A (0.39) ALDH1A1KDM4ECYP2C19KMT2AMEN1
SCHEMBL20236728 0.81 KMT2A (0.51) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL17618037 0.81 CYP3A4 (0.52) ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL20236537 0.78 LTB4R2 (0.46) ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL16211376 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9

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-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 ALDH1A1 1381/4885KDM4E 161/4885CYP3A4 3601/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 ALDH1A1 1381/4885KDM4E 161/4885CYP3A4 3601/4885

“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.