SCHEMBL18213641

SCHEMBL18213641

Cc1ccc2c(c1O)C(=O)CC2C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
TOP2A P11388 1/20 0.40
ELANE P08246 4/20 0.39
CTSG P08311 1/20 0.39
MAOB P27338 2/20 0.37
ALDH1A1 P00352 2/20 0.35
ELAVL1 Q15717 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.35
STAT3 P40763 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD2 P14416 1/20 0.33

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
SCHEMBL12718511 0.78 ACHE (0.44) TOP2AALDH1A1ACHEMAPT
SCHEMBL27661112 0.76 STAT3 (0.48) MAOAMAOBALDH1A1MAPTSTAT3
SCHEMBL18213640 0.76 ACHE (0.40) TOP2AACHEMAPTDRD2
SCHEMBL11869538 0.75 MAOA (0.47) MAOAELANECTSGMAOBALDH1A1
SCHEMBL20609342 0.75 TOP2A (0.54) MAOATOP2AELANECTSGMAOB
SCHEMBL30639028 0.73 TOP2A (0.37) MAOATOP2AMAOBACHEMAPT
SCHEMBL9055083 0.73 TOP2A (0.37) MAOATOP2AMAOBACHEMAPT
SCHEMBL12714836 0.69 NOS3 (0.43) TOP2AACHEGAA
SCHEMBL29854631 0.69 HTR2C (0.39) TOP2AALDH1A1MAPTGAA
SCHEMBL27203857 0.69 HTR2C (0.39) TOP2AALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT KYOTO UNIVERSITY (JP) 2016-11-10 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-20160326129-A1 COCKROACH ATTRACTION-AGGREGATION SUBSTANCE, COCKROACH AGGREGATION ATTRACTANT AND COCKROACH CONTROLLING AGENT ACHE, STOM, NAPA MAOA 2164/4885TOP2A 4875/4885ELANE 746/4885

“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.