SCHEMBL17865391

SCHEMBL17865391

FC(F)(F)Oc1cccc(OCCc2ccc(Br)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.47
MAOA P21397 3/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
FFAR1 O14842 1/20 0.42
SLC6A4 P31645 1/20 0.42
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SLC2A1 P11166 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39

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
SCHEMBL17865393 0.81 MRGPRX4 (0.51) FFAR1TSHRSLC13A5
SCHEMBL17865389 0.79 MRGPRX4 (0.53) SIRT2FFAR1MAPT
SCHEMBL3720181 0.78 CETP (0.42) MAOBMAPT
SCHEMBL3788342 0.75 MAOB (0.73) MAOBMAOASIRT2ALDH1A1HTT
SCHEMBL7072919 0.74 KMT2A (0.50) MAOBTSHR
SCHEMBL2097583 0.74 CHRM5 (0.47) MAOB
SCHEMBL2097585 0.74 ALDH1A1 (0.52) FFAR1ALDH1A1
SCHEMBL6479802 0.74 CHRM5 (0.41) MAOB
SCHEMBL7008638 0.74 TAAR1 (0.52)
SCHEMBL4573178 0.74 CETP (0.44) MAOBALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10299475-B2 Pesticide ISHIHARA SANGYO KAISHA, LTD. (JP) 2019-05-28 US disclosed
US-20160192651-A1 PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-07-07 US disclosed
EP-3037408-A1 HARMFUL ORGANISM CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2016-06-29 EP 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-10299475-B2 Pesticide DDT, ACHE, KCNH1 MAOB 885/4885MAOA 1187/4885SIRT2 470/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 MAOB 885/4885MAOA 1187/4885SIRT2 470/4885

“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.