SCHEMBL5065159

SCHEMBL5065159

CC[CH]C(=O)OCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.61
ATM Q13315 1/20 0.57
NAAA Q02083 1/20 0.55
TSHR P16473 5/20 0.53
HPGD P15428 1/20 0.53
EPHX1 P07099 1/20 0.52
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 4/20 0.46

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
SCHEMBL5164297 1.00 HCAR2 (0.61) HCAR2ATMNAAATSHRHPGD
SCHEMBL8896165 1.00 HCAR2 (0.61) HCAR2ATMNAAATSHRHPGD
SCHEMBL8895622 1.00 HCAR2 (0.61) HCAR2ATMNAAATSHRHPGD
SCHEMBL5634629 1.00 HCAR2 (0.61) HCAR2ATMNAAATSHRHPGD
SCHEMBL1569307 1.00 HCAR2 (0.61) HCAR2ATMNAAATSHRHPGD
SCHEMBL8896227 1.00 HCAR2 (0.61) HCAR2ATMNAAATSHRHPGD
SCHEMBL8895057 1.00 HCAR2 (0.61) HCAR2ATMNAAATSHRHPGD
SCHEMBL5069215 0.98 HCAR2 (0.60) HCAR2ATMNAAATSHRHPGD
SCHEMBL131127 0.91 ATM (0.68) HCAR2ATMNAAATSHRHPGD
SCHEMBL8896113 0.86 HCAR2 (0.59) HCAR2ATMNAAATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
EP-0318034-A1 Thermal dye transfer sheet MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1989-05-31 EP disclosed
EP-0318032-A2 Thermal dye transfer sheet MITSUBISHI KASEI CORPORATION (JP) 1989-05-31 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP HCAR2 2592/4885ATM 3488/4885NAAA 1183/4885

“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.