SCHEMBL919955

SCHEMBL919955

CCCOc1cc[c]c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.37
PDK2 Q15119 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
C3AR1 Q16581 1/20 0.35
MEN1 O00255 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL920483 0.91 LTA4H (0.42) KMT2ACA12CA1CA2CA7
SCHEMBL920839 0.89 TSHR (0.46) KMT2ALTA4HPDK2TSHR
SCHEMBL27287624 0.88 TSHR (0.49) LTA4HPDK2TSHR
SCHEMBL920552 0.88 TSHR (0.49) LTA4HPDK2TSHR
SCHEMBL9700131 0.88 TSHR (0.49) LTA4HPDK2TSHR
SCHEMBL920098 0.88 TSHR (0.49) LTA4HPDK2TSHR
SCHEMBL458361 0.85 NQO1 (0.44) KMT2ACA12CA1CA7CA9
SCHEMBL921591 0.84 NCF1 (0.43) KMT2AMAPTCYP1A2CYP2D6CYP2C19
SCHEMBL920627 0.84 KMT2A (0.30) KMT2A
SCHEMBL920842 0.84 KMT2A (0.30) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
CN-105764902-B Spiro-compound as tryptophan hydroxylase inhibitor 卡罗斯制药公司 2019-02-15 CN disclosed
CN-106459033-B Indoloquinolones as inhibitors of anaplastic lymphoma enzyme (A L K) 江苏亚盛医药开发有限公司 2018-12-21 CN disclosed
CN-105764902-A Spirocyclic compounds as tryptophan hydroxylase inhibitors 卡罗斯制药公司 2016-07-13 CN disclosed
CN-104926837-A Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL 2015-09-23 CN disclosed
CN-103180326-B Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2015-06-10 CN disclosed
CN-104557481-A 4,5-di-substituted phenanthrene and hydrophenanthrene liquid crystal compound and preparation method thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD 2015-04-29 CN disclosed
CN-104245689-A Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL CO 2014-12-24 CN disclosed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-0888340-A1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1999-01-07 EP disclosed
WO-1997030046-A1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 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 (6 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 KMT2A 2469/4885CA12 2447/4885CA1 1427/4885
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP KMT2A 2448/4885CA12 4729/4885CA1 3970/4885
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 KMT2A 586/4885CA12 1544/4885CA1 1167/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP KMT2A 2448/4885CA12 4729/4885CA1 3970/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 KMT2A 1924/4885CA12 536/4885CA1 428/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 KMT2A 668/4885CA12 1554/4885CA1 1246/4885

“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.