SCHEMBL15099347

SCHEMBL15099347

CCCCOc1cccc2[nH]c(C(=O)OCC)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
ALDH1A1 P00352 10/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 5/20 0.49
HPGD P15428 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SRD5A2 P31213 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
TSHR P16473 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 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
SCHEMBL12874793 0.89 SRD5A2 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12596312 0.86 SRD5A2 (0.66) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL699482 0.84 FLT3 (0.60) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL914490 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8555912 0.83 SRD5A2 (0.47) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL700753 0.83 SRD5A2 (0.73) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7004252 0.82 SRD5A2 (0.58) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL916058 0.82 SRD5A2 (0.49) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL914562 0.81 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL934970 0.81 LMNA (0.52) KDM4EALDH1A1LMNARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
WO-2013102242-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-11 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 (2 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-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 KDM4E 2644/4885ALDH1A1 2993/4885SMN1; SMN2 958/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 KDM4E 2644/4885ALDH1A1 2993/4885SMN1; SMN2 958/4885

“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.