SCHEMBL1334352

SCHEMBL1334352

N#Cc1ccc(C2OCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM1A O60341 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL1779534 0.92 CYP11B1 (0.41) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL10591118 0.83 CA2 (0.37) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL9778872 0.82 MAOB (0.55) MAOAMAOBRAB9A
SCHEMBL9451016 0.81 MEN1 (0.44) CYP11B1CYP11B2TSHRNPC1RAB9A
SCHEMBL9627406 0.80 CA2 (0.39) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL31442 0.80 ALDH1A1 (0.39) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL10451078 0.79 ALDH1A1 (0.38) CYP2A6ALDH1A1CYP11B1CYP11B2KDM1A
SCHEMBL4012194 0.78 GABRP (0.40) CA12CA2CA9CA14RAB9A
SCHEMBL28935583 0.77 MAOA (0.39) CYP2A6ALDH1A1CA12CA2CA3
SCHEMBL9778974 0.77 MAOB (0.53) MAOAMAOBRAB9A

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 164 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 EP claimed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 US claimed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 EP claimed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 WO claimed
US-12606548-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2026-04-21 US disclosed
US-20240166638-A1 FUNGICIDAL OXADIAZOLES FMC CORP (US) 2024-05-23 US disclosed
CN-118047729-A Fungicidal oxadiazoles FMC公司 2024-05-17 CN disclosed
CN-118047771-A Fungicidal oxadiazoles FMC公司 2024-05-17 CN disclosed
EP-4361150-A2 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC Corporation (US) 2024-05-01 EP disclosed
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION 2024-03-21 US disclosed
CN-110650956-B Fungicidal oxadiazoles FMC公司 2024-03-08 CN disclosed
EP-4262396-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION (US) 2023-10-25 EP disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed
US-RE32196-E PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS LILLY INDUSTRIES LIMITED (GB) 1986-07-01 US disclosed
US-4259340-A PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS SUCH AS ASTHMA LILLY INDUSTRIES LIMITED (GB) 1981-03-31 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-20240166638-A1 FUNGICIDAL OXADIAZOLES OXA1L, NOX1, TH CYP2A6 540/4885ALDH1A1 603/4885CA12 3377/4885
US-12606548-B2 Fungicidal oxadiazoles AOC2, AOC3, MT-CO3 CYP2A6 1749/4885ALDH1A1 2861/4885CA12 2402/4885
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES NOX1, TH, NOX3 CYP2A6 1254/4885ALDH1A1 702/4885CA12 4541/4885
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases MIF, CCL2, CCL11 CYP2A6 3074/4885ALDH1A1 1115/4885CA12 1264/4885

“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.