SCHEMBL1425452

SCHEMBL1425452

Oc1cc(I)c(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 9/20 0.60
▸ TSHR P16473 8/20 0.60
▸ HPGD P15428 6/20 0.60
▸ CYP3A4 P08684 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADRA1A P35348 1/20 0.34
▸ TTR P02766 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ESR1 P03372 1/20 0.32

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
SCHEMBL7594838 0.89 HSD17B10 (0.60) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL9974977 0.78 CYP3A4 (0.41) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL69259 0.78 HSD17B10 (0.80) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL22560903 0.78 HSD17B10 (0.46) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL19640216 0.77 TSHR (0.46) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL7665669 0.77 TSHR (0.46) HSD17B10TSHRHPGDCYP3A4ALDH1A1
Triclofenol SCHEMBL1338 0.76 HSD17B10 (1.00) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL7594519 0.76 AHR (0.44) HSD17B10TSHRHPGDCYP3A4CASP1
Triclofenol SCHEMBL29387498 0.76 HSD17B10 (1.00) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL48305 0.75 HSD17B10 (0.86) HSD17B10TSHRHPGDCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466714-A Preparation method of 2, 4-dichloro-5-halogenated phenol 中国科学技术大学 2024-01-30 — — CN disclosed
CN-117466714-A Preparation method of 2, 4-dichloro-5-halogenated phenol 中国科学技术大学 2024-01-30 — — CN disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 — — EP disclosed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 — — EP disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 — — US disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 — — EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 — — US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 — — EP disclosed
EP-2007767-B1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS R&D LTD (GB) 2011-11-02 — — EP disclosed
EP-2007767-B1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS R&D LTD (GB) 2011-11-02 — — EP disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 — — US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 — — US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 — — US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 — — US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 — — EP disclosed
EP-2007767-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R&D) LTD (GB) 2008-12-31 — — EP disclosed
WO-2008096218-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER INC. (US) 2008-08-14 — — WO disclosed
WO-2008096218-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER INC. (US) 2008-08-14 — — WO disclosed
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO disclosed
WO-2007104944-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2007-09-20 — — 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 HSD17B10 244/4885TSHR 4083/4885HPGD 796/4885
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors HSP90AA1, HSP90AB1, RAF1 HSD17B10 2271/4885TSHR 2094/4885HPGD 2265/4885

“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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