SCHEMBL1801991

SCHEMBL1801991

O=C(CI)OCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ PPARG P37231 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ GBA1 P04062 2/20 0.37
▸ UGCG Q16739 2/20 0.37
▸ GBA2 Q9HCG7 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9280541 0.85 KMT2A (0.50) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL22827986 0.85 KMT2A (0.50) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL21969019 0.82 KMT2A (0.51) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL5044109 0.82 KMT2A (0.48) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL9883394 0.81 KMT2A (0.53) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL15085001 0.81 KMT2A (0.53) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL20844614 0.80 KMT2A (0.51) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL18499928 0.79 KMT2A (0.51) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL17226137 0.79 KMT2A (0.48) KMT2AMEN1PPARGKDM4EALDH1A1
SCHEMBL21969422 0.79 KMT2A (0.50) KMT2AMEN1PPARGKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138908-A1 Mass Spectrometry THE NOGUCHI INSTITUTE (JP) 2008-06-12 — — US claimed
EP-1335984-A1 DETERMINATION OF HYDROPHOBIC COENZYME A ESTERS AND OTHER LIPIDS USING A BIOSENSOR COMPRISING A MODIFIED COENZYME A- AND ACYL-COA BINDING PROTEIN (ACBP) Biosensor APS (DK) 2003-08-20 — — EP claimed
US-20020142347-A1 Biosensor BIOSENSOR APS (DK) 2002-10-03 — — US claimed
WO-2002061096-A1 DETERMINATION OF HYDROPHOBIC COENZYME A ESTERS AND OTHER LIPIDS USING A BIOSENS OR COMPRISING A MODIFIED COENZYME A- AND ACYL- BINDING PROTEIN (ACBP) BIOSENSOR APS (DK) 2002-08-08 — — WO claimed
EP-2752659-B1 MALDI MASS ANALYSIS METHOD THE NOGUCHI INST (JP) 2017-10-18 — — EP disclosed
US-20150276740-A1 METHOD FOR DETERMINING KINASE ACTIVITY SYSMEX CORPORATION (JP) 2015-10-01 — — US disclosed
EP-1646395-B1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS INC (US) 2014-11-05 — — EP disclosed
US-20140206094-A1 MALDI MASS SPECTROMETRY METHOD THE NOGUCHI INSTITUTE (JP) 2014-07-24 — — US disclosed
EP-2752659-A1 MALDI MASS ANALYSIS METHOD The Noguchi Institute (JP) 2014-07-09 — — EP disclosed
US-20120269863-A1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS, INC. (US) 2012-10-25 — — US disclosed
US-20120238500-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO CURIS, INC. (US) 2012-09-20 — — US disclosed
US-8168178-B2 Methods and compositions for regulating lymphocyte activity CURIS, INC. (US) 2012-05-01 — — US disclosed
EP-0368946-A1 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-23 — — EP disclosed
EP-0368946-A4 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-14 — — EP disclosed
WO-1990000168-A1 IMPROVED METHODS OF USING CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1990-01-11 — — WO disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 — — WO disclosed
EP-0275260-A4 METHOD OF DETECTING A SUBSTANCE USING ENZYMATICALLY-INDUCED DECOMPOSITION OF DIOXETANES. QUEST SYSTEMS INC (US) 1990-01-08 — — EP disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 — — WO disclosed
EP-0275260-A1 METHOD OF DETECTING A SUBSTANCE USING ENZYMATICALLY-INDUCED DECOMPOSITION OF DIOXETANES. QUEST SYSTEMS INC (US) 1988-07-27 — — EP disclosed
WO-1988000695-A1 METHOD OF DETECTING A SUBSTANCE USING ENZYMATICALLY-INDUCED DECOMPOSITION OF DIOXETANES QUEST SYSTEMS, INC. (US) 1988-01-28 — — 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-20120238500-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO SHH, SMO, GLI1 KMT2A 4297/4885MEN1 1462/4885PPARG 2868/4885
US-20120269863-A1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY SHH, ICOS, SMO KMT2A 1296/4885MEN1 3880/4885PPARG 876/4885

“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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