SCHEMBL5840583

SCHEMBL5840583

Cc1cc(O)cc(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ HIF1A Q16665 3/20 0.35
▸ LPL P06858 5/20 0.33
▸ LIPG Q9Y5X9 5/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ ESR1 P03372 2/20 0.31

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
SCHEMBL12205429 0.83 LPL (0.37) HIF1ALPLLIPGP2RX7MAPK1
SCHEMBL23174510 0.82 CYP3A4 (0.34) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL30077918 0.82 CYP3A4 (0.34) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL21831566 0.81 LPL (0.34) CYP3A4HIF1ALPLLIPGP2RX7
SCHEMBL24733131 0.81 LPL (0.42) HIF1ALPLLIPGP2RX7F11
SCHEMBL25560010 0.79 LPL (0.33) LPLLIPGP2RX7MAPK1
SCHEMBL22442104 0.79 LPL (0.44) LPLLIPGP2RX7MAPK1
SCHEMBL17838322 0.79 LPL (0.33) LPLLIPGP2RX7MAPK1
SCHEMBL22655171 0.79 SELL (0.37) HIF1ALPLLIPGP2RX7ALDH1A1
SCHEMBL30412775 0.79 SELL (0.37) HIF1ALPLLIPGP2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115613-A1 DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-04-10 — — US disclosed
EP-4464700-A1 DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-11-20 — — EP disclosed
WO-2023134752-A1 DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR 武汉人福创新药物研发中心有限公司 2023-07-20 — — WO disclosed
CN-116444427-A Diaryl compounds for tubulin-SRC double-target inhibitor 武汉人福创新药物研发中心有限公司 2023-07-18 — — CN disclosed
WO-2022216945-A1 MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-10-13 — — WO disclosed
WO-2015024448-A1 BENZO PIPERIDINE RING AND BENZO MORPHOLINE RING COMPOUNDS, MANUFACTURING METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF 上海润诺生物科技有限公司 (CN) 2015-02-26 — — WO disclosed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 — — US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 — — US disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 — — EP disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 — — US disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 — — EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 — — US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 — — WO disclosed
WO-2003028724-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 — — WO 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 (3 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R CYP3A4 1530/4885CHRM1 79/4885ALOX15 348/4885
US-20250115613-A1 DIARYL COMPOUND AS TUBULIN/SRC DUAL TARGET INHIBITOR SRC, DSTYK, TUBB1 CYP3A4 1996/4885CHRM1 3535/4885ALOX15 4672/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R CYP3A4 1112/4885CHRM1 288/4885ALOX15 385/4885

“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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