SCHEMBL16870577

SCHEMBL16870577

CCc1ccc2c(c1O)C(=O)OC(C)C2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.61
MAOA P21397 16/20 0.59
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
DRD2 P14416 1/20 0.43

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
SCHEMBL18213638 0.90 MAOA (0.59) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL29582292 0.90 MAOA (0.59) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL16870458 0.81 MAOA (0.63) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL16870315 0.81 MAOA (0.63) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL16870531 0.81 MAOA (0.63) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL30487595 0.80 MAOA (0.60) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL13925638 0.80 MAOA (0.60) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL13925641 0.80 MAOA (0.60) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL4106735 0.78 MAOA (0.57) MAOBMAOAKLK7KLK5KDM4E
SCHEMBL13925646 0.78 MAOA (0.57) MAOBMAOAKLK7KLK5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167269-B2 Cockroach attraction-aggregation substance, cockroach aggregation attractant and cockroach controlling agent KYOTO UNIVERSITY (JP) 2019-01-01 US disclosed
US-10167269-B2 Cockroach attraction-aggregation substance, cockroach aggregation attractant and cockroach controlling agent KYOTO UNIVERSITY (JP) 2019-01-01 US disclosed
US-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT KYOTO UNIVERSITY (JP) 2016-11-10 US disclosed
US-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT KYOTO UNIVERSITY (JP) 2016-11-10 US disclosed
US-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT KYOTO UNIVERSITY (JP) 2016-11-10 US disclosed
WO-2016121528-A1 CRAWLING PEST CONTROL PREPARATION 大日本除蟲菊株式会社 2016-08-04 WO disclosed
WO-2015098681-A1 COCKROACH-AGGREGATING ATTRACTING SUBSTANCE, COCKROACH-AGGREGATING ATTRACTANT, AND COCKROACH EXTERMINATING AGENT 国立大学法人京都大学 2015-07-02 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 (2 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-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT ACHE, STOM, NAPA MAOB 3324/4885MAOA 2164/4885KLK7 1480/4885
US-10167269-B2 Cockroach attraction-aggregation substance, cockroach aggregation attractant and cockroach controlling agent ACHE, STOM, NAPA MAOB 3324/4885MAOA 2164/4885KLK7 1480/4885

“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.