SCHEMBL1748858

SCHEMBL1748858

O=C(O)c1cccc2c1OCC=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HMGB1 P09429 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL30629173 1.00 CYP2B6 (0.42) CYP2B6CYP1A1CYP1A2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6245847 0.98 CYP2B6 (0.41) CYP2B6CYP1A1CYP1A2ALDH1A1ALOX15
Propionic Acid SCHEMBL28248103 0.91 CYP2B6 (0.37) CYP2B6CYP1A1CYP1A2ALDH1A1ALOX15
SCHEMBL7531329 0.89 ALDH1A1 (0.35) CYP2B6CYP1A1CYP1A2ALDH1A1ALOX15
SCHEMBL30066970 0.85 PARP1 (0.50) CYP2B6CYP1A1CYP1A2ALDH1A1ALOX15
SCHEMBL5322267 0.85 PARP1 (0.50) CYP2B6CYP1A1CYP1A2ALDH1A1ALOX15
SCHEMBL7416857 0.81 PARP1 (0.36) ALDH1A1ALOX15KDM4ETSHRNR4A1
SCHEMBL31058480 0.81 CYP2B6 (0.39) CYP2B6CYP1A1CYP1A2ALDH1A1KDM4E
SCHEMBL27383030 0.81 TRPA1 (0.46) CYP2B6ALDH1A1KDM4ETSHRTDP1
Succinic Acid SCHEMBL5320883 0.81 PARP1 (0.43) CYP2B6CYP1A1CYP1A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US claimed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US claimed
CN-1257489-A Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2000-06-21 CN claimed
WO-2025042896-A1 DNA TOPOISOMERASE IIβ INHIBITORS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2025-02-27 WO disclosed
CN-118108725-A Chiral aza-bridged ring compound, and preparation method and application thereof 四川大学 2024-05-31 CN disclosed
CN-117015530-A Urolithin derivatives and methods of use thereof 范徳利亚股份公司 2023-11-07 CN disclosed
CN-114957239-B Chiral fluorine-containing tropane derivative and preparation method and application thereof 四川大学 2023-08-01 CN disclosed
CN-108164495-B A kind of water solubility coumarin sulfonic acid sodium of benzo containing carboxy hydroxy and preparation method and application 陕西师范大学 2019-10-25 CN disclosed
CN-109020961-A Antiviral compound 吉利德制药有限责任公司 2018-12-18 CN disclosed
CN-104230900-B Antiviral compound 吉利德制药有限责任公司 2018-10-19 CN disclosed
CN-108164495-A A kind of water solubility coumarin sulfonic acid sodium of benzo containing carboxy hydroxy and preparation method and application 陕西师范大学 2018-06-15 CN disclosed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
CN-1196692-C Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2005-04-13 CN disclosed
CN-1515566-A Substituted chromene derivative for curing inflammation G.D. 2004-07-28 CN disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
CN-1257489-A Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2000-06-21 CN disclosed
CN-1052006-C Dihydrobenzopyran derivatives as vasoconstrictors, preparation and use thereof JANSSEN PHARMACEUTICA NV (NL) 2000-05-03 CN disclosed
US-5824682-A Vasoconstrictive dihydrobenzopyran derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 1998-10-20 US disclosed
CN-1129451-A Dihydrobenzopyran derivatives as vasoconstrictors JANSSEN PHARMACEUTICA NV (BE) 1996-08-21 CN 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 (1 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-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 CYP2B6 1518/4885CYP1A1 1915/4885CYP1A2 1546/4885

“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.