SCHEMBL4128161

SCHEMBL4128161

Cc1nc(Oc2ccc(CC(=O)O)cc2)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
SRD5A2 P31213 3/20 0.43
HSD11B1 P28845 1/20 0.41
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NR3C1 P04150 1/20 0.39
POLB P06746 1/20 0.39
SRC P12931 1/20 0.38
P2RX3 P56373 1/20 0.38
LMNA P02545 1/20 0.38
PPARD Q03181 3/20 0.38
DGAT1 O75907 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL4597455 0.87 CYP4F2 (0.42) F2KDM4ELMNAPPARDPPARG
SCHEMBL5572663 0.85 P2RX3 (0.44) F2SRD5A2P2RX3PPARDPPARG
SCHEMBL5575510 0.84 PTGDR2 (0.46) KDM4EEGLN1
SCHEMBL13809924 0.84 ALDH1A1 (0.40)
SCHEMBL13809922 0.82 F2 (0.46) F2SRD5A2HSD11B1PTGS1AKR1C3
SCHEMBL3980466 0.82 TDP1 (0.44) F2SRD5A2KDM4EPPARG
SCHEMBL4140304 0.80 KDM4E (0.46) KDM4ELMNA
SCHEMBL4001831 0.79 AR (0.43) F2SRD5A2HSD11B1PTGS1AKR1C3
SCHEMBL5572824 0.78 KDM4E (0.43) KDM4ELMNA
SCHEMBL4598347 0.78 ALDH1A1 (0.50) KDM4ELMNAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075960-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
WO-2009075960-A1 CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 F2 4707/4885SRD5A2 2524/4885HSD11B1 1320/4885

“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.