SCHEMBL1614860

SCHEMBL1614860

CC(=O)Oc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.62
NR4A2 P43354 2/20 0.56
ABCB11 O95342 1/20 0.51
AMY1A P0DUB6 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.43
IDO1 P14902 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SLC6A4 P31645 1/20 0.40
DYRK1A Q13627 1/20 0.40
SPR P35270 1/20 0.39
PYGL P06737 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 1/20 0.39
AVPR1A P37288 1/20 0.39

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
SCHEMBL9012528 0.88 NR4A2 (0.54) SLC22A6NR4A2ABCB11AMY1AGPR84
SCHEMBL9120206 0.88 SLC22A6 (0.62) SLC22A6NR4A2ABCB11GPR84F7
SCHEMBL27591784 0.84 NR4A2 (0.52) SLC22A6NR4A2ABCB11GPR84F7
SCHEMBL27920538 0.83 SLC22A6 (0.64) SLC22A6NR4A2ALDH1A1IDO1MTNR1A
SCHEMBL9300226 0.82 NR4A2 (0.51) SLC22A6NR4A2GPR84F7F3
SCHEMBL5530414 0.81 SLC22A6 (0.62) SLC22A6NR4A2IDO1MTNR1AMTNR1B
SCHEMBL9119246 0.81 SLC22A6 (0.62) SLC22A6AMY1AGPR84IDO1MTNR1A
SCHEMBL9446758 0.81 SLC22A6 (0.57) SLC22A6NR4A2ABCB11ALDH1A1MTNR1A
SCHEMBL27920534 0.80 KMT2A (0.53) SLC22A6NR4A2ALDH1A1ALOX15
SCHEMBL8581148 0.80 SLC22A6 (0.60) SLC22A6NR4A2ALDH1A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US claimed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US claimed
US-20220136024-A1 PROTECTING GROUP CHEMISTRY FOR CLEAN, REDUCTANT-FREE DYEING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-05-05 US disclosed
US-11213510-B2 Thioindirubins CITY OF HOPE (US) 2022-01-04 US disclosed
US-11203774-B2 Protecting group chemistry for clean, reductant-free dyeing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-21 US disclosed
US-20200345693-A1 THIOINDIRUBINS CITY OF HOPE 2020-11-05 US disclosed
US-20200325516-A1 PROTECTING GROUP CHEMISTRY FOR CLEAN, REDUCTANT-FREE DYEING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-15 US disclosed
US-10704070-B2 Protecting group chemistry for clean, reductant-free dyeing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-07 US disclosed
WO-2019046551-A1 THIOINDIRUBINS CITY OF HOPE (US) 2019-03-07 WO disclosed
US-20180037917-A1 PROTECTING GROUP CHEMISTRY FOR CLEAN, REDUCTANT-FREE DYEING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-08 US disclosed
US-20180037917-A1 PROTECTING GROUP CHEMISTRY FOR CLEAN, REDUCTANT-FREE DYEING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-08 US disclosed
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US disclosed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US disclosed
EP-0954596-B1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON INC (US) 2006-01-04 EP disclosed
EP-1538214-A1 Enhanced production of taxanes by cell cultures of taxus species PHYTON, INC. (US) 2005-06-08 EP disclosed
EP-1398384-A1 Enhanced production of taxanes by cell cultures of taxus species Phyton Inc. (US) 2004-03-17 EP disclosed
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed
WO-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed
US-5364767-A 6-chloroindole derivatives; colorimetric and quantitative analysis RESEARCH ORGANICS, IN. (US) 1994-11-15 US 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-20200345693-A1 THIOINDIRUBINS HCCS, UGT2B7, TPMT SLC22A6 1499/4885NR4A2 1981/4885ABCB11 1339/4885
US-11213510-B2 Thioindirubins HCCS, UGT2B7, TPMT SLC22A6 1499/4885NR4A2 1981/4885ABCB11 1339/4885

“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.