SCHEMBL1626435

SCHEMBL1626435

CSc1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
KIF11 P52732 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
APP P05067 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
HAO1 Q9UJM8 1/20 0.39
AKR1C1 Q04828 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 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
SCHEMBL3497043 0.84 MAPT (0.52) MAPTKMT2AALDH1A1APPTSHR
SCHEMBL25514267 0.82 KMT2A (0.44) MAPTKMT2AALDH1A1APPSMN1; SMN2
SCHEMBL12260669 0.80 SMN1; SMN2 (0.48) PLK1EPHX2NR1H4KIF11MAPT
SCHEMBL1626673 0.79 PLK1 (0.47) PLK1EPHX2NR1H4KIF11MAPT
SCHEMBL4664901 0.78 SRD5A2 (0.54) EPHX2NR1H4MAPTKMT2AALDH1A1
SCHEMBL14269723 0.76 ALDH1A1 (0.51) PLK1EPHX2NR1H4KIF11MAPT
SCHEMBL3836018 0.76 KIF11 (0.42) PLK1EPHX2NR1H4KIF11SLC22A12
SCHEMBL1107163 0.76 TSHR (0.50) KIF11MAPTKMT2AALDH1A1LMNA
SCHEMBL1819260 0.76 ESR1 (0.54) MAPTKMT2AALDH1A1LMNAAPP
SCHEMBL6571 0.75 MAPT (0.67) MAPTKMT2AALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN PLK1 4267/4885EPHX2 852/4885NR1H4 1685/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN PLK1 4267/4885EPHX2 852/4885NR1H4 1685/4885

“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.