SCHEMBL2945684

SCHEMBL2945684

CC(C)(N)CCn1cc(CC(=O)O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.63
PLK1 P53350 5/20 0.53
MCL1 Q07820 4/20 0.53
ICMT O60725 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
CREBBP Q92793 1/20 0.48
TERT O14746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TBXAS1 P24557 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL28174742 0.89 CDC25A (0.66) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL13240042 0.86 ICMT (0.49) CDC25AMCL1ICMTALDH1A1KDM4E
SCHEMBL2465449 0.83 CDC25A (0.68) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL15747715 0.82 CDC25A (0.80) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL29379289 0.80 CDC25A (0.68) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL15747729 0.80 CDC25A (0.90) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL29376139 0.79 CDC25A (0.67) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL3743075 0.79 CDC25A (0.70) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL28369902 0.78 CDC25A (0.66) CDC25APLK1MCL1ICMTALDH1A1
SCHEMBL2429439 0.78 CDC25A (0.97) CDC25APLK1MCL1ICMTALDH1A1

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-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 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-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 CDC25A 2424/4885PLK1 1683/4885MCL1 4050/4885

“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.