SCHEMBL20106576

SCHEMBL20106576

CCC(C)(CC)c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GRM4 Q14833 1/20 0.35
GAA P10253 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL12925545 0.84 DGAT1 (0.40) DGAT1MAPTALDH1A1CYP19A1GAA
SCHEMBL29909266 0.79 POLB (0.40) DGAT1ALDH1A1CYP19A1PIK3CD
SCHEMBL77078 0.79 POLB (0.40) DGAT1ALDH1A1CYP19A1PIK3CD
SCHEMBL17428946 0.78 GRM4 (0.40) DGAT1MAPTALDH1A1CYP19A1GRM4
SCHEMBL16374865 0.78 ESR1 (0.36) MAPTESR1ESR2
SCHEMBL19509459 0.78 ESR1 (0.36) CYP19A1ESR1ESR2
SCHEMBL21719135 0.77 CNR2 (0.38) DGAT1MAPTALDH1A1ESR1ESR2
SCHEMBL22778781 0.77 CYP19A1 (0.32) CYP19A1ESR1ESR2
SCHEMBL11913147 0.76 ESR1 (0.35) CYP19A1ESR1ESR2
SCHEMBL611752 0.76 DGAT1 (0.37) DGAT1MAPTALDH1A1GAA

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-11330821-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2022-05-17 US disclosed
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-05 US disclosed
US-20180116219-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-03 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 (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-11330821-B2 Herbicidal compounds DDT, HPD, HDHD5 DGAT1 725/4885MAPT 3760/4885ALDH1A1 258/4885
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, CYP1B1 DGAT1 2000/4885MAPT 326/4885ALDH1A1 659/4885
US-20180116219-A1 HERBICIDAL COMPOUNDS DDT, HPD, HDHD5 DGAT1 725/4885MAPT 3760/4885ALDH1A1 258/4885

“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.