SCHEMBL15865601

SCHEMBL15865601

CC(=O)c1ccc2cccc(C(C)C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
PIM1 P11309 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP2 P08253 2/20 0.39
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 2/20 0.39
LMNA P02545 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38

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
SCHEMBL24453816 0.87 KDM4E (0.60) KDM4EKMT2APIM1CYP1A2CYP3A4
SCHEMBL6177510 0.83 KDM4E (0.45) KDM4EKMT2APIM1CYP1A2CYP3A4
SCHEMBL4459171 0.79 KDM4E (0.46) KDM4EKMT2APIM1ALDH1A1MMP2
SCHEMBL24454416 0.79 KDM4E (0.38) KDM4EKMT2APIM1CYP1A2CYP3A4
SCHEMBL6112866 0.77 PARP1 (0.49) KDM4EKMT2APIM1ALDH1A1MMP2
SCHEMBL1051386 0.77 KDM4E (0.71) KDM4EKMT2APIM1CYP1A2CYP3A4
SCHEMBL341567 0.76 BACE1 (0.50) KDM4EKMT2APIM1HPGDALDH1A1
SCHEMBL28932903 0.76 PARP1 (0.47) KDM4EKMT2APIM1ALDH1A1MMP2
SCHEMBL21173381 0.75 CYP1A2 (0.48) KDM4ECYP1A2CYP3A4HPGDTSHR
SCHEMBL17268386 0.75 KDM4E (0.45) KDM4EKMT2APIM1ALDH1A1MMP2

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-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 KDM4E 3809/4885KMT2A 1482/4885PIM1 4512/4885

“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.