SCHEMBL6402909

SCHEMBL6402909

C=CCC1CCC(CC=C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
PRSS1 P07477 2/20 0.37
CTRC Q99895 2/20 0.37
F2 P00734 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 2/20 0.31
CYP19A1 P11511 3/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL3637263 0.90 NOS1 (0.46) FAAHNOS1NOS2PRSS1CTRC
SCHEMBL10431414 0.84 FAAH (0.35) FAAHNOS1NOS2PRSS1CTRC
SCHEMBL17964253 0.84 TP53 (0.49) FAAHNOS1NOS2PRSS1CTRC
SCHEMBL6429233 0.78 ALDH1A1 (0.38) FAAHNOS1NOS2PRSS1CTRC
SCHEMBL17964264 0.77 TP53 (0.50) FAAHNOS1NOS2PRSS1CTRC
SCHEMBL3535755 0.77 NOS1 (0.40) FAAHNOS1NOS2PRSS1CTRC
SCHEMBL3259636 0.75
SCHEMBL19302160 0.75
SCHEMBL29554100 0.75
SCHEMBL17964290 0.75 FAAH (0.33) FAAHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043270-A ANTIINFLAMMATORY AGENTS PROCYON PHARMACEUTICALS, INC. (US) 2000-03-28 US claimed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
US-20050009928-A1 Cyclopentanone derivative ZEON CORPORATION (JP) 2005-01-13 US disclosed
EP-1420005-A1 CYCLOPENTANONE DERIVATIVE Zeon Corporation (JP) 2004-05-19 EP disclosed
EP-1084096-B1 METHOD FOR PRODUCING CYCLOPENTANONE BASF AG (DE) 2003-10-01 EP disclosed
US-6429339-B1 CYCLIZATION OF ADIPIC DIESTER USING ALKALI, ALKALINE EARTH OR RARE EARTH METAL OXIDE OXIDIC CATALYST; TITANIA, ZIRCONIA OR ZINC OXIDE CATALYST SUPPORTS BASF AKTIENGESELLSCHAFT (DE) 2002-08-06 US disclosed
EP-1084096-A1 METHOD FOR PRODUCING CYCLOPENTANONE BASF AKTIENGESELLSCHAFT (DE) 2001-03-21 EP disclosed
WO-1999061402-A1 METHOD FOR PRODUCING CYCLOPENTANONE BASF AKTIENGESELLSCHAFT (DE) 1999-12-02 WO disclosed
EP-0398099-B1 PROCESS FOR THE PRODUCTION OF CYCLOPENTANONES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
US-5166447-A Preparation of cyclopentanones BASF AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
US-5081309-A PREPARATION OF 2-ALKYLCYCLOPENTANONES BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
EP-0398099-A1 Process for the production of cyclopentanones BASF Aktiengesellschaft (DE) 1990-11-22 EP disclosed
EP-0194591-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-CYCLOPENTANONES BASF Aktiengesellschaft (DE) 1988-08-24 EP disclosed
EP-0194591-A2 Process for the preparation of 2-alkyl-cyclopentanones BASF Aktiengesellschaft (DE) 1986-09-17 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-20050009928-A1 Cyclopentanone derivative PTGIS, CYP51A1, TRPA1 FAAH 99/4885NOS1 84/4885NOS2 103/4885
US-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 FAAH 4649/4885NOS1 1543/4885NOS2 1348/4885

“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.