SCHEMBL5576633

SCHEMBL5576633

CC(C)(C)Cn1c(C(=O)O)c(OCc2ccccc2)c2cc(Cl)c(Cl)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ABCB11 O95342 1/20 0.38
TSHR P16473 2/20 0.37
GLRA1 P23415 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
DPP4 P27487 1/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
XBP1 P17861 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
SCHEMBL5576476 0.83 DNMT1 (0.39) CCR2KDM4ELMNAMEN1KMT2A
SCHEMBL5577098 0.83 ALOX5AP (0.39) CCR2KDM4EABCB11TSHRDPP4
SCHEMBL5233243 0.82 PLA2G2A (0.38) CCR2ABCB11THRATHRBMEN1
SCHEMBL5233619 0.80 PLA2G2D (0.41) KDM4EHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5233462 0.80 PLA2G2D (0.41) KDM4EHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5576501 0.80 GAA (0.36) KDM4EHPGDMEN1KMT2ASMN1; SMN2
Oxalic Acid SCHEMBL5576785 0.79 KDM4E (0.46) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5577125 0.77 CCR2 (0.33) CCR2ABCB11DPP4
SCHEMBL5234623 0.77 CCR2 (0.47) CCR2KDM4EABCB11TSHRLMNA
Oxalic Acid SCHEMBL5577086 0.76 KDM4E (0.47) KDM4ELMNAMEN1KMT2ASMN1; SMN2

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 CCR2 641/4885KDM4E 2749/4885ABCB11 3003/4885

“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.