SCHEMBL29659847

SCHEMBL29659847

COC1(c2cc(Br)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.44
▸ SHMT1 P34896 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ P2RX4 Q99571 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ SLC6A3 Q01959 2/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ ACP1 P24666 1/20 0.30

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
SCHEMBL22497913 1.00 NOTUM (0.44) NOTUMSHMT1S1PR1P2RX4P2RX7
SCHEMBL24454293 0.81 HDAC3 (0.40) NOTUMSLC6A4SLC6A3SLC6A2
SCHEMBL23113569 0.80 TSHR (0.35) SLC6A4SLC6A3SLC6A2
SCHEMBL23061350 0.78 TACR1 (0.34) —
SCHEMBL13280813 0.77 NOTUM (0.40) NOTUMSHMT1S1PR1P2RX4P2RX7
SCHEMBL22498044 0.75 P2RY14 (0.41) NOTUM
SCHEMBL29659870 0.75 P2RY14 (0.41) NOTUM
SCHEMBL22497949 0.74 NOTUM (0.56) NOTUM
SCHEMBL29659839 0.74 NOTUM (0.56) NOTUM
SCHEMBL22497923 0.74 NOTUM (0.40) NOTUMS1PR1P2RX4P2RX7ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527325-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2026-01-20 — — US disclosed
EP-3947358-B1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-06-18 — — EP disclosed
CN-113661165-B Pesticidally active diazine-amide compounds 先正达农作物保护股份公司 2025-05-23 — — CN disclosed
US-12281095-B2 Pesticidally active diazine-amide compounds SYNGENTA CROP PROTECTION AG (CH) 2025-04-22 — — US disclosed
CN-113631549-B Pesticidally active diazine-amide compounds 先正达农作物保护股份公司 2025-01-17 — — CN disclosed
US-20220185789-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-06-16 — — US disclosed
US-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-26 — — 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-12527325-B2 Pesticidally active diazine-amide compounds DDT, CHRM1, C3AR1 NOTUM 302/4885SHMT1 1241/4885S1PR1 1048/4885
US-20220185789-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 NOTUM 236/4885SHMT1 703/4885S1PR1 3814/4885
US-12281095-B2 Pesticidally active diazine-amide compounds DDT, ACHE, NIT2 NOTUM 236/4885SHMT1 703/4885S1PR1 3814/4885
US-20220159958-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS DDT, ACHE, NIT2 NOTUM 160/4885SHMT1 941/4885S1PR1 4233/4885

“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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