SCHEMBL18213636

SCHEMBL18213636

Cc1ccc2c(c1O)C(=O)OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
CTSG P08311 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MAOA P21397 2/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4115945 0.80 FTO (0.39) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11969387 0.78 ALDH1A1 (0.41) MEN1KMT2AGAATHRBALDH1A1
SCHEMBL4110023 0.76 MAPT (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL30487605 0.75 MAOA (0.54) MEN1KMT2AGAATHRBALDH1A1
SCHEMBL16870479 0.74 KDM4E (0.47) ELANECTSGMEN1KMT2AGAA
SCHEMBL13998944 0.72 ALDH1A1 (0.45) ELANEMEN1KMT2AGAATHRB
SCHEMBL16870296 0.71 MAOA (0.57) ELANECTSGKMT2AALDH1A1MAOA
SCHEMBL16870458 0.69 MAOA (0.63) KDM4EMAPTMAOAMAOBPOLB
SCHEMBL16870315 0.69 MAOA (0.63) KDM4EMAPTMAOAMAOBPOLB
SCHEMBL16870531 0.69 MAOA (0.63) KDM4EMAPTMAOAMAOBPOLB

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 ELANE 746/4885CTSG 1039/4885MEN1 2121/4885

“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.