SCHEMBL24748280

SCHEMBL24748280

COC(=O)COc1nc(-c2cccc(OC)c2)n(O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
GAA P10253 1/20 0.43
VDR P11473 4/20 0.43
PPARD Q03181 3/20 0.43
ESR1 P03372 2/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
RXRA P19793 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
ESR2 Q92731 2/20 0.43
FAAH O00519 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL24748849 0.91 CSNK1D (0.46) TSHRALDH1A1NR1H2NR1H3GAA
SCHEMBL24748837 0.89 LMNA (0.53) ALDH1A1NR1H2NR1H3PPARDPPARA
SCHEMBL24750701 0.89 KDM4E (0.48) TSHRALDH1A1GAAFAAHMAPT
SCHEMBL24407467 0.88 TSHR (0.49) TSHRALDH1A1NR1H2NR1H3GAA
SCHEMBL24748166 0.86 MALT1 (0.48) ALDH1A1FAAHMAPTSMN1; SMN2KDM4E
SCHEMBL24747537 0.86 MALT1 (0.48) FAAHMAPTNPC1RAB9AKDM4E
SCHEMBL24747533 0.85 PTGS1 (0.45) TSHRALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL24748325 0.85 KDM4E (0.45) TSHRALDH1A1GAAFAAHMAPT
SCHEMBL24748285 0.80 KDM4E (0.45) TSHRALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL26940100 0.80 MEN1 (0.42) TSHRALDH1A1SMN1; SMN2NPC1KDM4E

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-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 US disclosed
US-20220388971-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 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-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, PDK3, HACL2 TSHR 2877/4885ALDH1A1 83/4885NR1H2 1707/4885
US-20220388971-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS CYP4Z1, GSTO1, AADAC TSHR 3239/4885ALDH1A1 36/4885NR1H2 1779/4885

“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.