SCHEMBL3769408

SCHEMBL3769408

Cc1cc(C)n(CC(O)CN(Cc2ccccc2)Cc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 5/20 0.52
HPGD P15428 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.50
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3760537 0.85 KMT2A (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3762247 0.82 CYP1A2 (0.64) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3772826 0.80 CYP1A2 (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10277520 0.79 CYP2C19 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL3762594 0.76 KMT2A (0.64) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6865245 0.75 CYP2C19 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL3760544 0.75 KMT2A (0.55) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL18797641 0.73 CYP1A2 (1.00) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL6227253 0.73 POLB (0.54) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL21936369 0.71 POLB (0.53) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1

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-7851570-B2 Precatalysts useful in polyolefin polymerization reactions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-12-14 US disclosed
US-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2008-08-28 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-20080207853-A1 Precatalysts useful in polyolefin polymerization reactions PPOX, PORCN, PTGES KMT2A 2819/4885MEN1 3415/4885CYP1A2 634/4885

“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.