SCHEMBL5577098

SCHEMBL5577098

CC(C)(C)Cn1c(C(=O)O)c(OCc2cc3ccccc3[nH]2)c2cc(Cl)c(Cl)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
TSHR P16473 1/20 0.37
AKR1B1 P15121 1/20 0.36
CCR2 P41597 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2D6 P10635 3/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
GSK3B P49841 1/20 0.33
DPP4 P27487 1/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
DAO P14920 1/20 0.32
SRD5A2 P31213 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABCB11 O95342 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
SCHEMBL5576633 0.83 CCR2 (0.41) TSHRCCR2DPP4KDM4EHPGD
SCHEMBL5576476 0.82 DNMT1 (0.39) CCR2TACR1KDM4EMAPT
SCHEMBL5576340 0.76 CCR2 (0.46) TSHRCCR2DPP4NPSR1KDM4E
SCHEMBL5235402 0.75 PTGS1 (0.36) TSHRCCR2DPP4NPSR1KDM4E
SCHEMBL5233243 0.75 PLA2G2A (0.38) CCR2NPSR1ABCB11ALDH1A1
SCHEMBL5233440 0.74 L3MBTL1 (0.39) MAPTALDH1A1
Oxalic Acid SCHEMBL5576785 0.72 KDM4E (0.46) CYP2D6MAPK1KDM4EALDH1A1
Oxalic Acid SCHEMBL5577086 0.70 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL5576873 0.70 DPP4 (0.36) CCR2DPP4NPSR1ABCB11ALDH1A1
SCHEMBL5231036 0.67 L3MBTL1 (0.43) KDM4EMAPTALDH1A1

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 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 (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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR ALOX5AP 1346/4885TSHR 68/4885AKR1B1 565/4885

“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.