SCHEMBL18213640

SCHEMBL18213640

COc1c(C)ccc2c1C(=O)CC2C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.40
TOP2A P11388 1/20 0.38
POLL Q9UGP5 2/20 0.37
DRD2 P14416 3/20 0.36
SOS1 Q07889 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 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
SCHEMBL18213641 0.76 MAOA (0.41) ACHETOP2ADRD2MAPT
SCHEMBL12718511 0.75 ACHE (0.44) ACHETOP2AHTR2AHTR2CHTR2B
SCHEMBL18213639 0.70 KDM4E (0.42) ACHEDRD2
SCHEMBL11870449 0.70 ACHE (0.50) ACHEPOLLHTR2AHTR2CHTR2B
SCHEMBL16870307 0.70 POLL (0.43) POLLDRD2MAPT
SCHEMBL18205617 0.68 POLL (0.41) TOP2APOLLDRD2MAPT
SCHEMBL16870478 0.68 POLL (0.41) TOP2APOLLDRD2MAPT
SCHEMBL9055083 0.67 TOP2A (0.37) ACHETOP2APOLLDRD2HTR2A
SCHEMBL30639028 0.67 TOP2A (0.37) ACHETOP2APOLLDRD2HTR2A
SCHEMBL12714836 0.67 NOS3 (0.43) ACHETOP2APOLLHTR2AHTR2C

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 ACHE 1/4885TOP2A 4875/4885POLL 4181/4885

“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.