SCHEMBL18205657

SCHEMBL18205657

C=CCN(CC=C)C(=O)c1ccccc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
KCNA3 P22001 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
PDE2A O00408 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LPAR1 Q92633 1/20 0.44
HPGD P15428 3/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
STAT3 P40763 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
SCHEMBL425509 0.83 TP53 (0.52) KDM4EALDH1A1POLBNPSR1MAPT
SCHEMBL7200776 0.82 MAPT (0.59) KDM4EALDH1A1TDP1NPSR1MAPT
SCHEMBL812080 0.80 OPRM1 (0.56) CTSDKDM4EALDH1A1MAPTNPC1
SCHEMBL30130383 0.80 OPRM1 (0.56) CTSDKDM4EALDH1A1MAPTNPC1
SCHEMBL11077109 0.80 CTSD (0.44) CTSDKCNA3KDM4EALDH1A1POLB
SCHEMBL31517014 0.79 TSHR (0.54) ALDH1A1POLBMAPTTSHRL3MBTL1
SCHEMBL10330497 0.79 TSHR (0.54) ALDH1A1POLBMAPTTSHRL3MBTL1
SCHEMBL486061 0.77 TSHR (0.57) KDM4EALDH1A1POLBTDP1MAPT
SCHEMBL9642042 0.77 NPC1 (0.58) CTSDALDH1A1NPC1ABCG2RAB9A
SCHEMBL21891711 0.77 ALDH1A1 (0.50) KDM4EALDH1A1POLBTSHRHPGD

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 2 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-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 (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 CTSD 1676/4885KCNA3 3570/4885KDM4E 4790/4885
US-10167269-B2 Cockroach attraction-aggregation substance, cockroach aggregation attractant and cockroach controlling agent ACHE, STOM, NAPA CTSD 1676/4885KCNA3 3570/4885KDM4E 4790/4885

“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.