SCHEMBL24747892

SCHEMBL24747892

CCOC(=O)COc1nc(-c2ccc(Cl)cc2)n(O)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 2/20 0.47
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.45
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
TARBP2 Q15633 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL24748274 0.90 KDM4E (0.44) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL24748328 0.89 MALT1 (0.45) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL24748272 0.88 GAA (0.46) ALDH1A1KDM4EPOLBRAB9AGABRA2
SCHEMBL24407470 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL24747871 0.87 TSHR (0.51) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL26940180 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL24750689 0.86 GSK3B (0.47) ALDH1A1KDM4EPOLBTSHRMAPT
SCHEMBL24747450 0.86 MAPT (0.49) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL26940205 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL24750691 0.84 POLB (0.47) ALDH1A1POLBMAPTGABRA2GABRB2

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 ALDH1A1 83/4885KDM4E 3720/4885POLB 4067/4885
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 ALDH1A1 36/4885KDM4E 2866/4885POLB 4169/4885

“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.