SCHEMBL4029802

SCHEMBL4029802

COC(OC)c1nc(-c2ccccc2)oc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 1/20 0.38
USP1 O94782 1/20 0.37
USP19 O94966 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
FPR2 P25090 2/20 0.35
GAA P10253 1/20 0.35
TARBP2 Q15633 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL15265475 0.74 GAA (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4848002 0.73 KDM4E (0.41) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4030911 0.72 ALDH1A1 (0.41) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28097694 0.71 NPC1 (0.44) KDM4EALDH1A1HPGDHSD17B10USP1
SCHEMBL4852553 0.71 KDM4E (0.48) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4029798 0.70 KDM4E (0.41) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4473392 0.69 NPC1 (0.39) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4478483 0.68 NPC1 (0.43) TSHRKDM4EALDH1A1HSD17B10NPC1
SCHEMBL4845287 0.67 FFAR1 (0.42) TSHRALDH1A1ELANEMAPT
SCHEMBL4929594 0.67 KDM4E (0.47) TSHRKDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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 (3 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK TSHR 2334/4885KDM4E 570/4885ALDH1A1 176/4885
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 TSHR 2362/4885KDM4E 1421/4885ALDH1A1 134/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 TSHR 2067/4885KDM4E 719/4885ALDH1A1 821/4885

“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.