SCHEMBL8388797

SCHEMBL8388797

CCc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.66
CA1 P00915 3/20 0.66
CA2 P00918 1/20 0.66
CA5A P35218 1/20 0.66
ALDH1A1 P00352 9/20 0.60
HPGD P15428 6/20 0.60
HSD17B10 Q99714 6/20 0.60
GLA P06280 5/20 0.60
IGLV6-57 P01721 4/20 0.60
CASP1 P29466 3/20 0.60
CASP7 P55210 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.60
HIF1A Q16665 1/20 0.60
KDM4E B2RXH2 7/20 0.60
GAA P10253 4/20 0.60
CA12 O43570 4/20 0.60
MAOB P27338 3/20 0.60

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
SCHEMBL12303965 0.86 ALDH1A1 (0.60) CA9CA1CA2CA5AALDH1A1
SCHEMBL8750105 0.86 CA9 (0.54) CA9CA1CA2CA5AALDH1A1
SCHEMBL11180486 0.85 CA9 (0.64) CA9CA1CA2CA5AALDH1A1
SCHEMBL17358708 0.85 CA9 (0.64) CA9CA1CA2CA5AALDH1A1
SCHEMBL18886111 0.84 HSD17B3 (0.50) CA9CA1CA2CA5AALDH1A1
SCHEMBL15842363 0.84 HSD17B3 (0.68) ALDH1A1HPGDHSD17B10GLAL3MBTL1
SCHEMBL4924046 0.83 CA9 (0.62) CA9CA1CA2CA5AALDH1A1
SCHEMBL4929370 0.82 CA9 (0.61) CA9CA1CA2CA5AALDH1A1
SCHEMBL5348201 0.81 ALDH1A1 (0.62) CA9CA1CA2CA5AALDH1A1
SCHEMBL3250182 0.81 CA9 (0.59) CA9CA1CA2CA5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107655963-B Rapid detection method for forbidden coumarin compounds in floral water product 中国检验检疫科学研究院 2021-09-14 CN claimed
CN-107655963-A The quick determination method of coumarin kind compound is disabled in a kind of liquid distilled from honeysuckle flowers or lotus leaves aquatic products 中国检验检疫科学研究院 2018-02-02 CN claimed
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
CN-115389603-A Method for rapidly screening hazardous substances in spray cosmetics on site 中国检验检疫科学研究院 2022-11-25 CN disclosed
CN-107655963-B Rapid detection method for forbidden coumarin compounds in floral water product 中国检验检疫科学研究院 2021-09-14 CN disclosed
EP-2877444-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2020-09-02 EP disclosed
US-10464963-B2 Compounds from invasive Salvinias and methods of using the same STEPHEN F. AUSTIN STATE UNIVERSITY (US) 2019-11-05 US disclosed
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME STEPHEN F. AUSTIN STATE UNIVERSITY 2018-03-01 US disclosed
CN-107655963-A The quick determination method of coumarin kind compound is disabled in a kind of liquid distilled from honeysuckle flowers or lotus leaves aquatic products 中国检验检疫科学研究院 2018-02-02 CN disclosed
US-9809615-B2 Anti-cancer compounds from invasive salvinias and methods of treating cancer STEPHEN F. AUSTIN STATE UNIVERSITY (US) 2017-11-07 US disclosed
US-9809615-B2 Anti-cancer compounds from invasive salvinias and methods of treating cancer STEPHEN F. AUSTIN STATE UNIVERSITY (US) 2017-11-07 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (7 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CA9 767/4885CA1 4385/4885CA2 4764/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CA9 2207/4885CA1 2874/4885CA2 1305/4885
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 CA9 1929/4885CA1 541/4885CA2 182/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CA9 3152/4885CA1 3121/4885CA2 1428/4885
US-10464963-B2 Compounds from invasive Salvinias and methods of using the same MMP8, GUSB, MMP9 CA9 115/4885CA1 583/4885CA2 1153/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CA9 1929/4885CA1 541/4885CA2 182/4885
US-20180057524-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 CA9 115/4885CA1 583/4885CA2 1153/4885

“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.