SCHEMBL4021144

SCHEMBL4021144

O=C(c1ccccc1)[C@@H]1CN(C2CCCC2)C[CH][C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM2B Q8NHM5 3/20 0.43
SLC18A3 Q16572 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.39
LMNA P02545 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
SCHEMBL4776732 0.83 HRH3 (0.47) HRH3KDM4EPOLBALDH1A1KDM2B
SCHEMBL4021961 0.82 KDM4E (0.49) HRH3KDM4EPOLBALDH1A1KDM2B
Benzaldehyde SCHEMBL4772493 0.74 KDM4E (0.42) HRH3KDM4EPOLBALDH1A1KDM2B
SCHEMBL4019459 0.73 RORC (0.57) KDM4EALDH1A1LMNA
SCHEMBL4019955 0.73 RORC (0.57) KDM4EALDH1A1LMNA
SCHEMBL4019872 0.72 KMT2A (0.37) ALDH1A1KDM2BLMNA
SCHEMBL4025447 0.70 RORC (0.40) POLBALDH1A1KDM2BLMNA
SCHEMBL9920449 0.70 MCL1 (0.58) ALDH1A1MCL1
SCHEMBL4780139 0.69 HRH3 (0.42) HRH3ALDH1A1LMNA
SCHEMBL4021517 0.69 HRH3 (0.42) HRH3ALDH1A1LMNA

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 2 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 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 HRH3 1935/4885KDM4E 4110/4885POLB 655/4885

“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.