SCHEMBL4244903

SCHEMBL4244903

C#CCOc1c(OC)cc(C(=O)N[C@@H](C)C2CCCCC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIRT5 Q9NXA8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP2 P08253 2/20 0.40
CA9 Q16790 2/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL4249942 0.99 ALDH1A1 (0.46) TDP1POLBALDH1A1MAPK1KDM4E
SCHEMBL4243994 0.97 ALDH1A1 (0.46) TDP1POLBALDH1A1MAPK1KDM4E
SCHEMBL4247542 0.94 MAPK1 (0.47) TDP1ALDH1A1MAPK1SIRT5NPC1
SCHEMBL12799579 0.93 TDP1 (0.43) TDP1POLBALDH1A1MAPK1KDM4E
SCHEMBL4244298 0.93 TDP1 (0.43) TDP1POLBALDH1A1MAPK1KDM4E
SCHEMBL4245878 0.92 MAPK1 (0.41) TDP1POLBALDH1A1MAPK1KDM4E
SCHEMBL4249016 0.90 SIRT5 (0.42) TDP1POLBALDH1A1MAPK1KDM4E
SCHEMBL12799535 0.87 NPC1 (0.50) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4244957 0.87 NPC1 (0.50) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4248771 0.87 NPC1 (0.50) ALDH1A1KDM4EHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 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 (1 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 TDP1 3052/4885POLB 2260/4885ALDH1A1 1905/4885

“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.