SCHEMBL6186901

SCHEMBL6186901

[CH2]CCCC(F)(F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KIF11 P52732 4/20 0.38
DAO P14920 1/20 0.35
PTPN1 P18031 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
KCNN4 O15554 1/20 0.32
CNR1 P21554 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CHRM4 P08173 4/20 0.31
CHRM5 P08912 4/20 0.31
CHRM3 P20309 4/20 0.31

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
SCHEMBL17288632 0.94 TSHR (0.41) TSHRALDH1A1KIF11DAOPTPN1
SCHEMBL17288882 0.92 TSHR (0.39) TSHRALDH1A1KIF11DAOPTPN1
SCHEMBL17288791 0.92 TSHR (0.39) TSHRALDH1A1KIF11DAOPTPN1
SCHEMBL8380102 0.86 TSHR (0.46) TSHRALDH1A1KIF11DAOPTPN1
SCHEMBL20603805 0.81 KCNN4 (0.32) KCNN4CYP2D6CYP2C9CYP2C19
SCHEMBL825010 0.78 ALDH1A1 (0.42) TSHRALDH1A1KIF11DAOPTPN1
SCHEMBL12409056 0.78 ALDH1A1 (0.42) TSHRALDH1A1KIF11DAOKCNN4
SCHEMBL6185428 0.77 PTPN1 (0.45) ALDH1A1KIF11PTPN1CYP2D6CYP1A2
SCHEMBL3077118 0.77 KIF11 (0.61) KIF11CYP2D6CHRM4CHRM5CHRM3
SCHEMBL16933755 0.77 ALDH1A1 (0.41) TSHRALDH1A1KIF11KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424903-B1 METHOD FOR PRODUCING SULFOXIDE DERIVATIVE KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-09-29 EP disclosed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
CN-108779067-B Process for producing sulfoxide derivative 组合化学工业株式会社 2020-07-14 CN disclosed
US-10577313-B2 Method for producing sulfoxide derivative KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-03-03 US disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
EP-3424903-A1 METHOD FOR PRODUCING SULFOXIDE DERIVATIVE Kumiai Chemical Industry Co., Ltd. (JP) 2019-01-09 EP disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
EP-3178322-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company Limited (JP) 2017-06-14 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1537098-A1 MONOCYCLIC DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-06-08 EP disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014892-A1 MONOCYCLIC DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (5 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 TSHR 507/4885ALDH1A1 3053/4885KIF11 3966/4885
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 TSHR 2116/4885ALDH1A1 1868/4885KIF11 3497/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 TSHR 2151/4885ALDH1A1 2079/4885KIF11 4222/4885
US-10577313-B2 Method for producing sulfoxide derivative TST, SQOR, SDHB TSHR 2700/4885ALDH1A1 162/4885KIF11 2926/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 TSHR 2116/4885ALDH1A1 1868/4885KIF11 3497/4885

“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.