SCHEMBL4908644

SCHEMBL4908644

CCCCOC(=O)C[C]=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NAAA Q02083 1/20 0.52
ATM Q13315 1/20 0.48
DGKA P23743 1/20 0.47
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
HTR2C P28335 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4910649 0.94 NAAA (0.61) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL4901007 0.92 NAAA (0.64) ALDH1A1NAAADGKATSHRRAD52
SCHEMBL2375796 0.86
SCHEMBL2944649 0.84 ALDH1A1 (0.54) ALDH1A1NAAAATMDGKATSHR
SCHEMBL7105216 0.83 ALDH1A1 (0.52) ALDH1A1NAAAATMDGKATSHR
SCHEMBL317392 0.81 ALDH1A1 (0.50) ALDH1A1NAAAATMDGKATSHR
SCHEMBL6946123 0.79 DGKA (0.53) ALDH1A1NAAAATMDGKATSHR
SCHEMBL13717269 0.79 NAAA (0.48) ALDH1A1NAAAATMDGKATSHR
SCHEMBL18187586 0.79 NAAA (0.48) ALDH1A1NAAAATMDGKATSHR
SCHEMBL3364129 0.79 NAAA (0.48) ALDH1A1NAAAATMDGKATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO 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
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
WO-2001009093-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-02-08 WO disclosed
CN-1089606-A Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1994-07-20 CN 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 ALDH1A1 492/4885NAAA 4612/4885ATM 4228/4885

“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.