SCHEMBL20129481

SCHEMBL20129481

COC(=O)C1=C(C(=O)Nc2ccc(NC(=O)C3=C(C(=O)OC)CCCC3)cc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.51
SLC6A3 Q01959 7/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL7693974 0.92 SLC6A3 (0.60) DHODHSLC6A3NPSR1SLC6A2NPC1
SCHEMBL10843167 0.84 MEN1 (0.58) SLC6A3NPSR1SLC6A2SMN1; SMN2MAPT
SCHEMBL2131145 0.80 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4
SCHEMBL8636289 0.76 SLC6A3 (0.53) SLC6A3NPSR1SLC6A2SLC6A4
SCHEMBL8762690 0.73 DHODH (0.76) DHODHNPSR1SMN1; SMN2
SCHEMBL2371417 0.72 SLC6A3 (0.54) SLC6A3SLC6A2SLC6A4
SCHEMBL3914856 0.72 DHODH (0.69) DHODHNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL3924512 0.72 DHODH (0.72) DHODHSLC6A3NPC1RAB9ATP53
SCHEMBL3915685 0.72 DHODH (0.60) DHODHNPC1RAB9ATP53SMN1; SMN2
SCHEMBL11241892 0.71 TSHR (0.53) DHODHNPSR1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180126784-A1 RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 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-20180126784-A1 RUBBER COMPOSITION RER1, KPNB1, KPNA1 DHODH 2822/4885SLC6A3 4880/4885NPSR1 3042/4885

“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.