SCHEMBL1625075

SCHEMBL1625075

CCOC(=O)C(C(=O)OCC)C(=O)C(C)(C)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.37
ADRB2 P07550 4/20 0.37
ADRB1 P08588 4/20 0.37
ADRB3 P13945 4/20 0.37
NLRP3 Q96P20 1/20 0.37
MMP8 P22894 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1627221 0.89 NLRP3 (0.38) PIN1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1626664 0.82 CASP1 (0.42) PIN1SMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL1626779 0.82 CA12 (0.43) PIN1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL30603802 0.81 PIN1 (0.45) PIN1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18113457 0.81 PIN1 (0.45) PIN1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1626628 0.81 KMT2A (0.40) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1626829 0.81 PPARA (0.39) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL1627161 0.78 PIN1 (0.46) PIN1SMN1; SMN2NPC1ALDH1A1CYP2C19
SCHEMBL18623933 0.78 PIN1 (0.40) PIN1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1625395 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP2C19

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 PIN1 114/4885SMN1; SMN2 3976/4885NPC1 863/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN PIN1 114/4885SMN1; SMN2 3976/4885NPC1 863/4885

“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.