SCHEMBL6402698

SCHEMBL6402698

COc1ccc(CCC2CCCC(=O)CCC2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ESR1 P03372 1/20 0.46
CYP19A1 P11511 1/20 0.46
ESR2 Q92731 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.39
PKM P14618 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
SCHEMBL6398904 0.96 POLB (0.49) POLBESR1CYP19A1ESR2NPC1
SCHEMBL6397805 0.83 POLB (0.44) POLBESR1CYP19A1ESR2ATM
SCHEMBL6398905 0.83 POLB (0.44) POLBESR1CYP19A1ESR2ATM
SCHEMBL6400311 0.82 POLB (0.43) POLBESR1CYP19A1ESR2NPC1
SCHEMBL6400318 0.82 POLB (0.43) POLBESR1CYP19A1ESR2NPC1
SCHEMBL6400314 0.82 POLB (0.43) POLBESR1CYP19A1ESR2NPC1
SCHEMBL6399758 0.81 NPC1 (0.42) NPC1RAB9AMEN1KMT2A
SCHEMBL6402700 0.76 HRH3 (0.41) POLBESR2NPC1RAB9A
SCHEMBL6403702 0.72 ALDH1A1 (0.43) POLBNPC1RAB9A
SCHEMBL27297772 0.72 POLB (0.65) POLBESR1CYP19A1ESR2NPC1

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 9 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-6946539-B2 Polyurethane and polyurethane-urea comprised of poly(trimethylene-ethylene ether) glycol soft segment E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-09-20 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-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

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 2400/4885ESR1 3616/4885CYP19A1 497/4885

“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.