SCHEMBL4910652

SCHEMBL4910652

CCCCCOC(=O)CC=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.61
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FAAH O00519 2/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
HCAR2 Q8TDS4 2/20 0.48
EPHX1 P07099 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16741941 0.98 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL28301942 0.98 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL28504067 0.98 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL10714622 0.98 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL7627118 0.98 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL28129434 0.98 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL4901016 0.98 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL31568720 0.94 NAAA (0.55) NAAARAD52NPSR1FAAHDGKA
SCHEMBL3964880 0.94 ATM (0.54) NAAARAD52NPSR1FAAHDGKA
SCHEMBL29214586 0.88 NAAA (0.49) NAAARAD52NPSR1FAAHDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151527-B Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2025-05-13 CN disclosed
CN-115151527-A Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2022-10-04 CN disclosed
CN-107540599-A Aminoidan compound and its purposes for treating pain 阿萨纳生物科技有限责任公司 2018-01-05 CN disclosed
CN-103547566-B Aminoindane compounds and their use to treat pain 阿萨纳生物科技有限责任公司 2017-05-31 CN disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
US-6646135-B1 Alpha ketoesters and alpha ketolactones to produce an alpha hydroxy carbonyl compound. ROCHE VITAMINS INC. 2003-11-11 US disclosed
EP-1063224-B1 Continuous hydrogenation process HOFFMANN LA ROCHE (CH) 2003-06-25 EP disclosed
EP-1200405-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2002-05-02 EP disclosed
US-6350761-B1 INHIBITORS OF THE ENZYME, FACTOR XA; BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
EP-0746306-B1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS PROCTER & GAMBLE (US) 2001-11-07 EP disclosed
WO-2001009093-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-02-08 WO disclosed
EP-1063224-A1 Continuous hydrogenation process F. HOFFMANN-LA ROCHE AG (CH) 2000-12-27 EP disclosed
EP-0746306-A1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1996-12-11 EP disclosed
WO-1995023585-A1 BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1995-09-08 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 NAAA 4612/4885RAD52 4574/4885NPSR1 409/4885

“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.