SCHEMBL21331640

SCHEMBL21331640

C[CH][C@@H](C)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
TSHR P16473 2/20 0.41
ACHE P22303 2/20 0.41
ACP3 P15309 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GAA P10253 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL23249312 1.00 ESR1 (0.48) ESR1TSHRACHEACP3CYP3A4
SCHEMBL23249532 1.00 ESR1 (0.48) ESR1TSHRACHEACP3CYP3A4
SCHEMBL11401314 0.82 ESR1 (0.45) ESR1TSHRACHEACP3ALDH1A1
SCHEMBL10410201 0.79 ESR1 (0.46) ESR1TSHRACHEACP3ALDH1A1
SCHEMBL11463024 0.79 ESR1 (0.46) ESR1TSHRACHEACP3ALDH1A1
SCHEMBL2550047 0.79 ESR1 (0.46) ESR1TSHRACHEACP3ALDH1A1
SCHEMBL9165865 0.79 ESR1 (0.46) ESR1TSHRACHEACP3ALDH1A1
SCHEMBL143737 0.75 ESR1 (0.52) ESR1TSHRACHEACP3CYP3A4
SCHEMBL3867592 0.75 ESR1 (0.52) ESR1TSHRACHEACP3CYP3A4
SCHEMBL2332685 0.75 ESR1 (0.52) ESR1TSHRACHEACP3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2023-02-16 US disclosed
US-11155520-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC 2021-10-26 US disclosed
EP-3761790-A1 PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2021-01-13 EP disclosed
US-20200399222-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-12-24 US disclosed
WO-2019173665-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 WO disclosed
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 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 (4 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-20200399222-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ESR1 3596/4885TSHR 2350/4885ACHE 1673/4885
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ESR1 3596/4885TSHR 2350/4885ACHE 1673/4885
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ESR1 3596/4885TSHR 2350/4885ACHE 1673/4885
US-11155520-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 ESR1 3596/4885TSHR 2350/4885ACHE 1673/4885

“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.