SCHEMBL4021369

SCHEMBL4021369

CCOC(=O)CCN1C[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
EGFR P00533 2/20 0.40
LMNA P02545 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 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
SCHEMBL4021371 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AGAAEGFRLMNA
SCHEMBL4024531 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AGAAEGFRLMNA
SCHEMBL4019381 0.83 KMT2A (0.46) ALDH1A1KMT2AGAALMNASIGMAR1
SCHEMBL4019373 0.83 KMT2A (0.46) ALDH1A1KMT2AGAALMNASIGMAR1
SCHEMBL4772340 0.83 KMT2A (0.48) ALDH1A1KMT2ALMNAMEN1
SCHEMBL4026548 0.83 KMT2A (0.46) ALDH1A1KMT2AGAALMNASIGMAR1
SCHEMBL4024734 0.80 NTRK1 (0.43) ALDH1A1KMT2AGAALMNAKDM4E
SCHEMBL4774189 0.80 NTRK1 (0.43) ALDH1A1KMT2AGAALMNAKDM4E
SCHEMBL4019229 0.80 NTRK1 (0.43) ALDH1A1KMT2AGAALMNAKDM4E
SCHEMBL4024282 0.79 SLC18A3 (0.45) ALDH1A1KMT2AGAALMNASIGMAR1

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-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 ALDH1A1 258/4885KMT2A 2820/4885GAA 350/4885

“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.