SCHEMBL1021545

SCHEMBL1021545

CCOCc1cc(OC)c(B(O)O)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
CALM1 P0DP23 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL13015950 0.83 ERN1 (0.39) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13220709 0.81 PTGS2 (0.57) PTGS2HTR2AHTR2CHTR2BTUBB1
SCHEMBL1021258 0.79 PTGS2 (0.43) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL3039601 0.79 LMNA (0.36) PTGS2CALM1CA2
SCHEMBL5782140 0.78 ALDH1A1 (0.46) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL12712736 0.77 FOS (0.37) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31432799 0.77 PTGS2 (0.63) PTGS2HTR2AHTR2CHTR2BTUBB4A
SCHEMBL22016200 0.77 PTGS2 (0.42) PTGS2CALM1HTR2AHTR2CHTR2B
SCHEMBL920600 0.77 HSD17B10 (0.41) PTGS2ENPP2ALDH1A1TSHRCA2
SCHEMBL3026929 0.77 ALDH1A1 (0.34) PTGS2ALDH1A1TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118390199-A Modified PBT-PET sheath-core composite fiber and preparation method thereof 江苏恒科新材料有限公司 2024-07-26 CN claimed
EP-4541422-A2 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS Gilead Sciences, Inc. (US) 2025-04-23 EP disclosed
CN-119462635-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2025-02-18 CN disclosed
US-20250032473-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2025-01-30 US disclosed
EP-3873900-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2025-01-08 EP disclosed
EP-3873884-B1 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2024-12-04 EP disclosed
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969687-B Quinoline derivatives as a4 b 7 integrin inhibitors 吉利德科学公司 2024-08-23 CN disclosed
CN-112996786-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-08-20 CN disclosed
CN-112969700-B Imidazopyridine derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2024-08-20 CN disclosed
US-7476758-B2 Process for preparing a phenylalanine derivative and intermediates thereof MITSUBISHI TANBE PHARMA CORPORATION (JP) 2009-01-13 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-20050165107-A1 Process for preparing a phenylalanine derivative and intermediates thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-07-28 US disclosed
EP-1478619-A1 A PROCESS FOR PREPARING A PHENYLALANINE DERIVATIVE AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-11-24 EP disclosed
WO-2003072536-A1 A PROCESS FOR PREPARING A PHENYLALANINE DERIVATIVE AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2003-09-04 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-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 PTGS2 2242/4885CALM1 610/4885HTR2A 113/4885
US-20050165107-A1 Process for preparing a phenylalanine derivative and intermediates thereof ITGB4, ITGA4, ITGA5 PTGS2 4420/4885CALM1 2516/4885HTR2A 2197/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PTGS2 281/4885CALM1 2307/4885HTR2A 1691/4885

“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.