SCHEMBL12377613

SCHEMBL12377613

C#CCOc1c(C)cc(C(=O)O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TPMT P51580 1/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PLA2G2A P14555 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLAU P00749 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 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
SCHEMBL3226220 0.88 TPMT (0.49) POLBALOX15HTTTPMTMEN1
SCHEMBL12377618 0.87 NPC1 (0.45) NPC1MAPTTSHR
SCHEMBL12377614 0.85 HTT (0.36) POLBALOX15HTTNPC1ALDH1A1
SCHEMBL12377617 0.82 LMNA (0.40) HTTALDH1A1SMN1; SMN2PLAUTSHR
SCHEMBL9204687 0.82 THRA (0.42) TPMTNPC1ALDH1A1MEN1RAB9A
SCHEMBL14882611 0.81 POLB (0.49) POLBALOX15HTTTPMTNPC1
SCHEMBL2289816 0.80 TPMT (0.54) POLBALOX15HTTTPMTKMT2A
SCHEMBL10976192 0.80 ALDH1A1 (0.44) POLBNPC1ALDH1A1MEN1RAB9A
SCHEMBL9622975 0.80 PLAU (0.49) TPMTNPC1ALDH1A1MEN1RAB9A
SCHEMBL2287267 0.79 NPC1 (0.40) POLBALOX15HTTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 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 (4 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA POLB 2260/4885ALOX15 1584/4885HTT 1567/4885
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 POLB 3698/4885ALOX15 656/4885HTT 4277/4885
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 POLB 4554/4885ALOX15 1024/4885HTT 3758/4885
US-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA POLB 2476/4885ALOX15 1461/4885HTT 1696/4885

“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.