SCHEMBL30254724

SCHEMBL30254724

COc1cc(CC(N)CCl)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ AOC3 Q16853 2/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42
▸ TUBB2A Q13885 2/20 0.42
▸ TUBB8 Q3ZCM7 2/20 0.42
▸ TUBA3E Q6PEY2 2/20 0.42
▸ TUBA1A Q71U36 2/20 0.42
▸ TUBA1C Q9BQE3 2/20 0.42
▸ TUBB6 Q9BUF5 2/20 0.42
▸ TUBB2B Q9BVA1 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
Hydrochloric Acid SCHEMBL30255062 0.98 HTR2A (0.49) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL1983133 0.84 HTR2A (0.56) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL20970858 0.84 PTGS2 (0.57) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL10772079 0.82 HTR2A (0.50) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL10772081 0.82 HTR2A (0.50) HTR2AHTR2CHTR2BPTGS2AOC3
SCHEMBL394373 0.79 PTGS2 (0.55) HTR2AHTR2CHTR2BPTGS2
SCHEMBL20553334 0.79 PTGS2 (0.55) HTR2AHTR2CHTR2BPTGS2
SCHEMBL394374 0.79 PTGS2 (0.55) HTR2AHTR2CHTR2BPTGS2
Hydrochloric Acid SCHEMBL31545682 0.78 PTGS2 (0.53) HTR2AHTR2CHTR2BPTGS2
Hydrochloric Acid SCHEMBL35210353 0.78 PTGS2 (0.53) HTR2AHTR2CHTR2BPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565489-B2 Heterocyclyl pyrimidines and triazines as novel fungicides BAYER AKTIENGESELLSCHAFT (DE) 2026-03-03 — — US disclosed
US-20230278994-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-07 — — US disclosed
EP-4161914-A1 HETEROCYCLYL PYRIDINES AS NOVEL FUNGICIDES Bayer Aktiengesellschaft (DE) 2023-04-12 — — EP disclosed
EP-4161906-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES Bayer Aktiengesellschaft (DE) 2023-04-12 — — EP 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-12565489-B2 Heterocyclyl pyrimidines and triazines as novel fungicides CBR1, CBR3, NOX1 HTR2A 502/4885HTR2C 126/4885HTR2B 394/4885
US-20230278994-A1 HETEROCYCLYL PYRIMIDINES AND TRIAZINES AS NOVEL FUNGICIDES DPYD, DPM1, DHPS HTR2A 2083/4885HTR2C 1776/4885HTR2B 2518/4885

“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.

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