SCHEMBL21916355

SCHEMBL21916355

CC(C)c1cc(I)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
TACR1 P25103 2/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CETP P11597 1/20 0.31
PDE2A O00408 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 1/20 0.31
S1PR1 P21453 1/20 0.31
DAO P14920 1/20 0.30
CES2 O00748 1/20 0.30

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
SCHEMBL26945940 0.86 GABRA1 (0.33) GABRA1GABRB1GABRB2
SCHEMBL437277 0.84 TACR1 (0.42) TACR1IDO1TDO2PDE2AHTR2A
SCHEMBL10629252 0.84 TACR1 (0.39) GABRA1GABRB2TACR1IDO1TDO2
SCHEMBL16952452 0.84 TACR1 (0.33) TACR1IDO1TDO2
SCHEMBL26840302 0.81 HMGCR (0.41) GABRA1GABRB1GABRB2CYP2D6
SCHEMBL29009961 0.78 AKR1C3 (0.47) TACR1CYP2D6
SCHEMBL10199720 0.77 GABRA1 (0.39) GABRA1GABRB2TACR1IDO1TDO2
SCHEMBL21508132 0.77 CES2 (0.35) TACR1IDO1TDO2PDE2AHTR2A
SCHEMBL8127537 0.77 PDE2A (0.35) TACR1IDO1TDO2PDE2AHTR2A
SCHEMBL21766566 0.77 RXRA (0.40) TACR1IDO1TDO2S1PR1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941912-B1 PESTICIDALLY ACTIVE AZOLE AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-12-13 EP disclosed
EP-3867237-B1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 EP disclosed
US-20220169629-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-06-02 US disclosed
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-30 US disclosed
US-20210395217-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-23 US disclosed
WO-2020208036-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-10-15 WO disclosed
WO-2020079198-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-23 WO 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 (3 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-20210395217-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, CYP51A1 GABRA1 656/4885GABRB1 731/4885GABRB2 784/4885
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, NIT2 GABRA1 658/4885GABRB1 721/4885GABRB2 816/4885
US-20220169629-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 GABRA1 931/4885GABRB1 915/4885GABRB2 937/4885

“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.