SCHEMBL2120782

SCHEMBL2120782

OCc1cc(I)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.50
PKM P14618 1/20 0.48
ERN1 O75460 1/20 0.43
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.40
ADRB2 P07550 8/20 0.40
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
ADRB1 P08588 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4290170 0.81 TYR (0.39) KLF10PKMERN1SLC6A4SLC6A2
SCHEMBL6156516 0.80 SLC6A4 (0.43) KLF10ERN1SLC6A4SLC6A2IDO1
SCHEMBL2052536 0.79 ESR1 (0.53) PKMERN1HSP90AA1ALOX15ALOX12
SCHEMBL2124758 0.79 ERN1 (0.38) KLF10PKMERN1SLC6A4HIF1A
SCHEMBL28879920 0.78 SLC6A4 (0.42) ERN1SLC6A4SLC6A2IDO1
SCHEMBL9467640 0.76 ALOX5 (0.50) ERN1HIF1ALMNAMAPT
SCHEMBL9418406 0.75 GABRA1 (0.56) KLF10PKMADRB2HIF1ACYP1A2
Gentisyl Alcohol SCHEMBL829492 0.75 KLF10 (0.54) KLF10PKMADRB2HIF1ACYP1A2
SCHEMBL2616934 0.74 SLC6A4 (0.43) SLC6A4SLC6A2HIF1ACYP1A2CYP2D6
SCHEMBL1477460 0.74 SLC6A4 (0.40) SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
EP-3056507-A1 C-ARYL GLUCOSIDE DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2016-08-17 EP disclosed
US-20120094939-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF BOSTON UNIVERSITY 2012-04-19 US disclosed
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists CURTIS NEIL ROY 2009-01-08 US disclosed
WO-2008124571-A2 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-16 WO disclosed
EP-1866300-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 EP disclosed
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
WO-2006100519-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 WO disclosed
US-7109211-B2 Substituted benzopyran derivatives for the treatment of inflammation PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-19 US disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US disclosed
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-02-09 EP disclosed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 WO disclosed
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed
US-5447943-A Smooth muscle relaxants or bronchodilators SYNTEX (U.S.A.) INC. (US) 1995-09-05 US disclosed
EP-0529654-A1 Benzopyran derivatives as potassium channel activators and 5-lipoxygenase inhibitors SYNTEX (U.S.A.) INC. (US) 1993-03-03 EP 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-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists HTR2A, HTR2C, HTR2B KLF10 3141/4885PKM 3946/4885ERN1 4304/4885
US-20120094939-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS AND METHODS HAVCR2, EIF2AK2, RPL35 KLF10 2238/4885PKM 3074/4885ERN1 1211/4885

“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.