SCHEMBL3348514

SCHEMBL3348514

CCn1c[c]cc(C(=O)O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
APEX1 P27695 1/20 0.35
BRD4 O60885 2/20 0.33
HIF1A Q16665 1/20 0.32
HTT P42858 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL3451768 0.80 ALDH1A1 (0.38) KDM4EALDH1A1HTT
SCHEMBL3344524 0.77 KMT2A (0.35) KDM4EALDH1A1HPGDRAB9ALMNA
SCHEMBL3348287 0.73 CNR2 (0.43) KDM4EALDH1A1LMNAKMT2AHTT
SCHEMBL957350 0.73 KDM4E (0.34) KDM4ELMNA
SCHEMBL17477692 0.70 BRD4 (0.51) KDM4EALDH1A1RAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL11535108 0.69 BRD4 (0.50) KDM4EALDH1A1RAB9ALMNATDP1
SCHEMBL13617348 0.68 LMNA (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL19768916 0.67 CNR1 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
Trifluoroacetic Acid SCHEMBL17594935 0.65 BRD4 (0.46) KDM4EALDH1A1RAB9ALMNATDP1
SCHEMBL14968971 0.64 LMNA (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD KDM4E 3882/4885ALDH1A1 530/4885HPGD 29/4885

“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.