SCHEMBL6957697

SCHEMBL6957697

CCP(=O)(CC)OCCCCCCCCCN

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.42
LPAR1 Q92633 4/20 0.42
LPAR2 Q9HBW0 4/20 0.42
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
CYP3A4 P08684 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.37

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
SCHEMBL6956386 1.00 LPAR3 (0.42) LPAR3LPAR1LPAR2GABBR2GABBR1
Oxalic Acid SCHEMBL27974806 0.88 GABBR2 (0.38) LPAR3LPAR1LPAR2GABBR2GABBR1
SCHEMBL5485248 0.86 CYP3A4 (0.48) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL14701651 0.83 LPAR3 (0.48) LPAR3LPAR1LPAR2GABBR2GABBR1
SCHEMBL31065561 0.82 LPAR3 (0.61) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL27487571 0.82 LPAR3 (0.61) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL31065565 0.82 LPAR3 (0.61) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL11668416 0.82 LPAR3 (0.61) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL27826149 0.82 LPAR3 (0.61) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL27845150 0.82 LPAR3 (0.61) LPAR3LPAR1LPAR2CYP3A4

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 LPAR3 3327/4885LPAR1 2685/4885LPAR2 3838/4885

“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.