SCHEMBL9613261

SCHEMBL9613261

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.47
CCR2 P41597 12/20 0.40
GPR35 Q9HC97 2/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
ABCB11 O95342 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 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
SCHEMBL13881347 0.91 PTGES (0.46) PTGESPTGES2POLBALDH1A1KDM4E
SCHEMBL9613205 0.83 GPR35 (0.57) CCR2GPR35POLBALDH1A1CYP1A2
SCHEMBL9613229 0.82 GPR35 (0.48) CCR2GPR35POLBALDH1A1CYP1A2
SCHEMBL1260741 0.80 CCR2 (0.56) CCR2GPR35ALDH1A1ABCB11KDM4E
SCHEMBL9613336 0.79 CCR2 (0.41) CCR2GPR35POLBALDH1A1CYP1A2
SCHEMBL9613218 0.78 CCR2 (0.39) CCR2GPR35POLBALDH1A1CYP1A2
SCHEMBL708036 0.77 CCR2 (0.63) CCR2GPR35POLBALDH1A1CYP1A2
SCHEMBL17648927 0.76 CCR2 (0.48) CCR2GPR35ALDH1A1ABCB11
SCHEMBL30790917 0.76 HSD17B10 (0.62) GPR35ALDH1A1KDM4E
SCHEMBL9613270 0.76 HSD17B10 (0.62) GPR35ALDH1A1KDM4E

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-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-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 PTGES 3348/4885PTGES2 1964/4885CCR2 400/4885

“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.