SCHEMBL9613205

SCHEMBL9613205

CCn1c(C(=O)O)cc2cc(C(C)C)ccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.57
CCR2 P41597 12/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
ABCB11 O95342 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL13881352 0.88 GPR35 (0.43) GPR35ALDH1A1POLBKDM4EHPGD
SCHEMBL9613336 0.83 CCR2 (0.41) GPR35CCR2ALDH1A1POLBCYP1A2
SCHEMBL9613261 0.83 PTGES (0.47) GPR35CCR2ALDH1A1POLBCYP1A2
SCHEMBL9613218 0.82 CCR2 (0.39) GPR35CCR2ALDH1A1POLBCYP1A2
SCHEMBL17648927 0.80 CCR2 (0.48) GPR35CCR2ALDH1A1ABCB11
SCHEMBL9613337 0.80 GPR35 (0.62) GPR35CCR2ALDH1A1POLBCYP1A2
SCHEMBL9613270 0.80 HSD17B10 (0.62) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1553069 0.80 GPR35 (0.67) GPR35CCR2ALDH1A1POLBCYP1A2
SCHEMBL30790917 0.80 HSD17B10 (0.62) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22479058 0.80 GRIK1 (0.37) GPR35ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727797-B1 PROCESS FOR CROSS COUPLING INDOLES BOEHRINGER INGELHEIM PHARMA (US) 2012-05-30 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 GPR35 2444/4885CCR2 400/4885ALDH1A1 3616/4885

“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.