SCHEMBL6397805

SCHEMBL6397805

COc1ccc(CCC2C/C=C\C(=O)CCC2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KDR P35968 7/20 0.43
KIT P10721 6/20 0.43
PDGFRA P16234 6/20 0.43
FLT4 P35916 5/20 0.43
FLT3 P36888 5/20 0.43
MAP2K1 Q02750 4/20 0.43
PDGFRB P09619 3/20 0.43
FLT1 P17948 3/20 0.43
ALK Q9UM73 2/20 0.43
MAP2K2 P36507 1/20 0.43
ESR1 P03372 1/20 0.41
CYP19A1 P11511 1/20 0.41
ESR2 Q92731 1/20 0.41
LCK P06239 2/20 0.40
RET P07949 1/20 0.40
MAPK1 P28482 1/20 0.40
TYK2 P29597 1/20 0.40
EPHB4 P54760 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL6398905 1.00 POLB (0.44) POLBKDRKITPDGFRAFLT4
SCHEMBL6400311 0.87 POLB (0.43) POLBKDRKITPDGFRAFLT4
SCHEMBL6400314 0.87 POLB (0.43) POLBKDRKITPDGFRAFLT4
SCHEMBL6400318 0.87 POLB (0.43) POLBKDRKITPDGFRAFLT4
SCHEMBL6402698 0.83 POLB (0.50) POLBESR1CYP19A1ESR2ATM
SCHEMBL6403356 0.83 KMT2A (0.35) KDRKITPDGFRAFLT4FLT3
SCHEMBL6403361 0.83 KMT2A (0.35) KDRKITPDGFRAFLT4FLT3
SCHEMBL6398904 0.80 POLB (0.49) POLBESR1CYP19A1ESR2
SCHEMBL6396683 0.80 HRH3 (0.36) POLBKDRKITPDGFRAFLT4
SCHEMBL6396679 0.80 HRH3 (0.36) POLBKDRKITPDGFRAFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US claimed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US claimed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP claimed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP claimed
US-20050281862-A1 Non-aspirating transitional viscoelastics for use in surgery KARAKELLE MUTLU 2005-12-22 US disclosed
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-1341519-A2 NON-ASPIRATING TRANSITIONAL VISCOELASTICS FOR USE IN SURGERY Alcon, Inc (CH) 2003-09-10 EP disclosed
US-20030060447-A1 Non-aspirating transitional viscoelastics for use in surgery ALCON, INC. (CH) 2003-03-27 US disclosed
WO-2002036096-A2 NON-ASPIRATING TRANSITIONAL VISCOELASTICS FOR USE IN SURGERY ALCON, INC (CH) 2002-05-10 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 POLB 2400/4885KDR 1423/4885KIT 805/4885

“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.