SCHEMBL5464653

SCHEMBL5464653

COc1ccc(C(C)N2C(=O)C3=C(CCCC3)C2SCC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
MEN1 O00255 1/20 0.36
AKR1B1 P15121 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR1 O14842 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL5464658 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AATMITGB3ITGAV
SCHEMBL5455791 0.81 HPGD (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5459727 0.81 HPGD (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5457165 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL5459715 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL2662739 0.74 HCRTR1 (0.42) KMT2AMEN1SMN1; SMN2KDM4EPOLB
SCHEMBL5463734 0.69 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2643558 0.67 MEN1 (0.53) ALDH1A1KMT2AMEN1AKR1B1KDM4E
SCHEMBL10551987 0.66 FFAR1 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL2662538 0.65 HTT (0.38) KMT2AMEN1AKR1B1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 ALDH1A1 2410/4885KMT2A 3643/4885ATM 891/4885

“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.