SCHEMBL6403702

SCHEMBL6403702

O=C1CCCCC(CCc2ccccc2O)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CEL P19835 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
DAO P14920 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.38
QRFPR Q96P65 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HSPA5 P11021 1/20 0.36

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
SCHEMBL6402700 0.95 HRH3 (0.41) ALDH1A1RAB9ANPC1HPGDNFKB1
SCHEMBL386637 0.87 RAB9A (0.49) ALDH1A1RAB9ANPC1HPGDNFKB1
SCHEMBL6397923 0.83 ALDH1A1 (0.37) ALDH1A1RAB9ANPC1HPGDNFKB1
SCHEMBL28171137 0.82 TAAR1 (0.52) HRH3TAAR1HSPA5
SCHEMBL6399518 0.78 CTSS (0.47) OPRM1OPRK1
SCHEMBL6398904 0.77 POLB (0.49) RAB9ANPC1CELPOLBQRFPR
SCHEMBL6399588 0.75 HRH3 (0.36) ALDH1A1RAB9ANPC1HPGDNFKB1
SCHEMBL1733071 0.74 CEL (0.51) RAB9ACELPOLBL3MBTL1
SCHEMBL6402698 0.72 POLB (0.50) RAB9ANPC1POLB
SCHEMBL7866064 0.72 ALDH1A1 (0.49) ALDH1A1HRH3TAAR1POLBHSPA5

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 11 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-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
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 disclosed
US-20040127673-A1 Polyurethane and polyurethane-urea comprised of poly(trimethylene-ethylene ether) glycol soft segment E. I. DU PONT DE NEMOURS AND COMPANY 2004-07-01 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
US-20040030089-A1 Thermoplastic elastomer comprising poly(trimethylene-ethylene ether) soft segment and polyamide hard segment E. I. DU PONT DE NEMOURS AND COMPANY 2004-02-12 US 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 ALDH1A1 4117/4885RAB9A 4319/4885NPC1 2828/4885

“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.