SCHEMBL4018987

SCHEMBL4018987

Cc1ccc(C2[C@@H](C(=O)c3ccccc3)CN(CC(=O)N(C)C)C[C@@H]2C(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RORC P51449 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.37
HDAC4 P56524 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
ESRRG P62508 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
SCHEMBL4020502 1.00 ALDH1A1 (0.43) ALDH1A1RORCKDM4EGAAMEN1
SCHEMBL4018988 1.00 ALDH1A1 (0.43) ALDH1A1RORCKDM4EGAAMEN1
SCHEMBL4019712 0.92 RORC (0.43) ALDH1A1RORCKDM4EGAAMEN1
SCHEMBL4024572 0.92 RORC (0.43) ALDH1A1RORCKDM4EGAAMEN1
SCHEMBL4019710 0.92 RORC (0.43) ALDH1A1RORCKDM4EGAAMEN1
SCHEMBL4022406 0.89 CYP1A2 (0.49) ALDH1A1RORCGAAMEN1KMT2A
SCHEMBL4021425 0.89 ALDH1A1 (0.45) ALDH1A1RORCMEN1KMT2AKCNH2
SCHEMBL4021421 0.89 ALDH1A1 (0.45) ALDH1A1RORCMEN1KMT2AKCNH2
SCHEMBL4022405 0.89 CYP1A2 (0.49) ALDH1A1RORCGAAMEN1KMT2A
SCHEMBL4021770 0.88 KMT2A (0.53) ALDH1A1KDM4EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
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 258/4885RORC 183/4885KDM4E 4110/4885

“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.