SCHEMBL6409381

SCHEMBL6409381

[O]CC1(c2ccccc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.63
SLC6A4 P31645 3/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
AKR1C1 Q04828 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6408444 0.91 MAOA (0.60) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL8122483 0.82 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL1152119 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL19382461 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL3890243 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL294582 0.77 DPP4 (1.00) DPP4SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL9330358 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL497930 0.77 DPP4 (0.63) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL977926 0.77 HSD11B1 (0.69) DPP4SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL5965351 0.77 DPP4 (0.57) DPP4SLC6A4SLC6A2SLC6A3LMNA

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-20050027008-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredient TEIJIN LIMITED 2005-02-03 US claimed
US-20050027008-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredient TEIJIN LIMITED 2005-02-03 US disclosed
US-20030220402-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredients TEIJIN LIMITED (JP) 2003-11-27 US disclosed
EP-1256341-A1 CANCER REMEDY COMPRISING ANTHRANILIC ACID DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-11-13 EP 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-20030220402-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredients HCCS, BCOR, CBR1 DPP4 4730/4885SLC6A4 3738/4885SLC6A2 3800/4885
US-20050027008-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredient CA9, HCCS, CA7 DPP4 4862/4885SLC6A4 4101/4885SLC6A2 3782/4885

“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.