SCHEMBL12379052

SCHEMBL12379052

C#CCOC(=O)c1cc(C)c(OCC#C)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
TSHR P16473 2/20 0.42
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRM3 P20309 1/20 0.36
THPO P40225 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL12379055 0.85 KDM4E (0.34) NPC1TSHRHTTMAPTNPSR1
SCHEMBL12379054 0.84 HTT (0.34) NPC1TSHRCA12CA9HTT
SCHEMBL12379047 0.81 MMP1 (0.37) NPC1TSHRHTTMAPTNPSR1
SCHEMBL12377618 0.80 NPC1 (0.45) NPC1TSHRFNTAFNTBCYP1A2
SCHEMBL17689585 0.76 MAOA (0.37) TSHRCA12CA1CA2CA9
SCHEMBL12379064 0.75 ALDH1A1 (0.31) HTTALDH1A1
SCHEMBL3225369 0.73 PDE4B (0.42) TSHRPKMHTTKDM4E
SCHEMBL12377613 0.73 POLB (0.41) NPC1TSHRHTTMAPTNPSR1
SCHEMBL11537686 0.73 NPC1 (0.70) NPC1TSHRFNTAFNTBPKM
SCHEMBL19831976 0.72 NPC1 (0.50) NPC1TSHRFNTAFNTBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999136-B2 Amide compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-16 US disclosed
US-7956010-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-20100056640-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100048701-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-25 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-20100056640-A1 AMIDE COMPOUND AND USE THEREOF NAT1, AGXT, HAX1 NPC1 435/4885TSHR 3275/4885FNTA 694/4885
US-20100048701-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 NPC1 904/4885TSHR 1169/4885FNTA 781/4885

“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.