SCHEMBL6951293

SCHEMBL6951293

C=CCOC(=O)NCCCCCCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.47
DDAH1 O94760 1/20 0.45
TGM2 P21980 1/20 0.41
EPHX2 P34913 1/20 0.40
ACHE P22303 7/20 0.40
ERN1 O75460 2/20 0.39
EPHX1 P07099 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL20207166 1.00 PAOX (0.47) PAOXDDAH1TGM2EPHX2ACHE
Hydrochloric Acid SCHEMBL2525927 0.98 PAOX (0.46) PAOXDDAH1TGM2EPHX2ACHE
SCHEMBL1276392 0.98 DDAH1 (0.46) PAOXDDAH1TGM2EPHX2ACHE
Hydrochloric Acid SCHEMBL28713623 0.97 DDAH1 (0.45) PAOXDDAH1TGM2EPHX2ACHE
SCHEMBL28255342 0.93 ACHE (0.40) PAOXDDAH1TGM2EPHX2ACHE
Hydrochloric Acid SCHEMBL28852389 0.91 DDAH1 (0.39) PAOXDDAH1TGM2EPHX2ACHE
SCHEMBL3676772 0.91 TGM2 (0.46) TGM2EPHX2ACHEERN1EPHX1
SCHEMBL15109209 0.86 ALDH1A1 (0.46) TGM2EPHX2ACHEERN1EPHX1
SCHEMBL7001155 0.85 MAPT (0.42) TGM2ACHEERN1TSHRMAPT
SCHEMBL991007 0.84 ACHE (0.51) TGM2EPHX2ACHEERN1EPHX1

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-6646129-B2 Treatment of psoriasis and skin cancer LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-11-11 US disclosed
EP-0984936-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-03 EP disclosed
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S 2002-08-08 US disclosed
US-6346520-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS; PSORIASIS LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 2002-02-12 US disclosed
EP-0984936-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054141-A1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO 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-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors CCNC, MKI67, CCNI PAOX 741/4885DDAH1 162/4885TGM2 2235/4885

“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.