SCHEMBL4598575

SCHEMBL4598575

Cc1cc(Oc2ccc(C=O)c(C)n2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
ESRRA P11474 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
AR P10275 8/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PPARG P37231 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PDE4B Q07343 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
SCHEMBL4597712 0.87 HRH3 (0.44) HRH3SLC22A12ARPPARGCYP1A2
SCHEMBL4598354 0.87 AR (0.49) HRH3ESRRASLC22A12ARCYP1A2
SCHEMBL4718693 0.87 HRH3 (0.38) HRH3ESRRASLC22A12ARMRGPRX4
SCHEMBL4596118 0.81 MAP4K4 (0.51)
SCHEMBL4596178 0.80 HAO1 (0.49) PPARGALDH1A1HPGD
SCHEMBL4598015 0.78 KDM4E (0.60) HRH3ESRRASLC22A12ARMRGPRX4
SCHEMBL5575305 0.76 KDM4E (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL16483429 0.75 FFAR4 (0.47) HRH3ARMRGPRX4PPARGCYP1A2
SCHEMBL5572824 0.74 KDM4E (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL4598347 0.74 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (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 HRH3 482/4885ESRRA 689/4885SLC22A12 1691/4885

“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.