SCHEMBL4426376

SCHEMBL4426376

CCOC(=O)C(C)(C)Oc1ccc(I)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.71
▸ CYP1A2 P05177 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ HTR2A P28223 1/20 0.71
▸ PMP22 Q01453 1/20 0.71
▸ FBP1 P09467 9/20 0.57
▸ PPARG P37231 5/20 0.49
▸ OPRK1 P41145 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL20133457 0.87 PPARA (0.55) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL3903999 0.86 PPARA (0.76) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11548436 0.86 PPARA (0.76) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL7979408 0.85 PPARA (0.73) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL199420 0.85 PPARA (0.73) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL13757723 0.83 PPARA (0.71) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL2356 0.83 PPARA (1.00) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL3823703 0.83 PPARA (0.71) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL1417870 0.83 PPARA (0.71) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL13763797 0.83 PPARA (0.71) PPARACYP1A2CYP3A4ABCB11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061999-A1 PROCESS FOR PREPARING A PHENOLIC HYDROCARBON STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2023-04-20 — — WO disclosed
EP-4166531-A1 PROCESS FOR PREPARING A PHENOLIC HYDROCARBON Studiengesellschaft Kohle mbH (DE) 2023-04-19 — — EP disclosed
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 — — EP disclosed
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 — — EP disclosed
CN-113024466-A Tetra-substituted olefin compound and use thereof 卫材 R&D 管理有限公司 2021-06-25 — — CN disclosed
CN-107847498-B Tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2021-04-13 — — CN disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 — — US disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 — — US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 — — US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 — — US disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 — — WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 — — WO disclosed
US-RE37770-E1 SUCH AS LINOLEIC ACID, OLEIC ACID, 5,8,11,14-EICOSATETRAYNOIC ACID, 4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL)THIOACETIC ACID, CLOFIBRATE, AND GEMFIBROZIL; USEFUL FOR TREATING DISORDERS OF EPIDERMAL DIFFERENTIATION AND PROLIFERATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-06-25 — — US disclosed
US-6187814-B1 BY TOPICALLY AN FARNESOID X-ACTIVATED RECEPTOR (FXR) ACTIVATOR SELECTED FROM FARNESAL, ALKYL FARNESYL ETHER, ALKYL FARNESOATE, AND 7-METHYL-9-(3,3-DIMETHYLOXIRANYL)-3-METHYL-2,6-NONADIENOIC ACID, ALKYL ESTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-13 — — US disclosed
US-6184215-B1 TOPICALLY APPLYING TO SKIN A HYDROXYCHOLESTEROL TO ACTIVATE LIVER-BASED X-ACTIVATED RECEPTOR ALPHA (LXRA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-06 — — US disclosed
US-6060515-A TOPICALLY APPLYING TO MAMMALIAN SKIN OR MUCOUS MEMBRANE A BARRIER DEVELOPMENT ENHANCING AMOUNT OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPARA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-09 — — US disclosed
US-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 — — US disclosed
US-5776951-A ANTICHOLESTEROL AGENT GLAXO WELLCOME INC. (US) 1998-07-07 — — US disclosed
EP-0706508-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-17 — — EP disclosed
WO-1995001326-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-12 — — 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 (2 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-10851065-B2 Tetrasubstituted alkene compounds and their use BRCA1, ESR2, ESR1 PPARA 1578/4885CYP1A2 2684/4885CYP3A4 3339/4885
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 PPARA 1578/4885CYP1A2 2684/4885CYP3A4 3339/4885

“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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