Sugi Predict

Sugi Predict / Compounds / SCHEMBL6987582

SCHEMBL6987582

SCHEMBL6987582

c1ccc(COB(OCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ IDO1 P14902 1/20 0.48
▸ AGXT P21549 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL18550249 0.79 TSHR (0.46) TSHRIDO1AGXTALDH1A1CYP1A2
SCHEMBL28252619 0.79 TSHR (0.46) TSHRIDO1AGXTALDH1A1CYP1A2
SCHEMBL51017 0.79 TSHR (0.57) TSHRIDO1AGXTALDH1A1CYP1A2
SCHEMBL2199544 0.75 CYP1A2 (0.50) TSHRIDO1AGXTALDH1A1CYP1A2
SCHEMBL2025672 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CYP1A2
SCHEMBL15112393 0.75 KDM4E (0.45) TSHRALDH1A1CYP1A2MAPK1KMT2A
SCHEMBL17333443 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CYP1A2
SCHEMBL907509 0.75 TSHR (0.40) TSHRALDH1A1CYP1A2MAPK1KMT2A
SCHEMBL3080694 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CYP1A2
SCHEMBL4726793 0.75 TSHR (0.45) TSHRALDH1A1CYP1A2MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104250214-B Polymerizable compounds and their use in liquid crystal displays 默克专利股份有限公司 2018-10-19 — — CN disclosed
US-6627656-B2 Antagonists of the pain and inflammatory effects of E-type prostaglandins administered alone or in combination with analgesics, antipyretics, NSAIDs, antitussives, decongestants etc MERCK FROSST CANADA LTD. (CA) 2003-09-30 — — US disclosed
EP-1278734-A2 METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE Merck Frosst Canada & Co. (CA) 2003-01-29 — — EP disclosed
US-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore MERCK FROSST CANADA LTD. (CA) 2002-06-27 — — US disclosed
WO-2001081312-A2 METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE MERCK FROSST CANADA & CO. (CA) 2001-11-01 — — 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 (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-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore PTGER1, PTGS1, PTGES TSHR 2921/4885IDO1 157/4885AGXT 1891/4885

“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.