SCHEMBL3964880

SCHEMBL3964880

CCCCOC(=O)CC=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ALDH1A1 P00352 1/20 0.52
NAAA Q02083 1/20 0.52
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 3/20 0.47
DGKA P23743 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
RAD52 P43351 1/20 0.44
FAAH O00519 2/20 0.43
HTR2C P28335 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.39
DNM1 Q05193 1/20 0.39

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
SCHEMBL4910652 0.94 NAAA (0.61) ATMALDH1A1NAAATSHRHPGD
SCHEMBL28301942 0.92 NAAA (0.64) ATMNAAATSHRHCAR2DGKA
SCHEMBL28129434 0.92 NAAA (0.64) ATMNAAATSHRHCAR2DGKA
SCHEMBL28504067 0.92 NAAA (0.64) ATMNAAATSHRHCAR2DGKA
SCHEMBL10714622 0.92 NAAA (0.64) ATMNAAATSHRHCAR2DGKA
SCHEMBL7627118 0.92 NAAA (0.64) ATMNAAATSHRHCAR2DGKA
SCHEMBL16741941 0.92 NAAA (0.64) ATMNAAATSHRHCAR2DGKA
SCHEMBL4901016 0.92 NAAA (0.64) ATMNAAATSHRHCAR2DGKA
SCHEMBL31568720 0.88 NAAA (0.55) ATMALDH1A1NAAATSHRHPGD
SCHEMBL2375801 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107876092-B Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2023-01-10 CN claimed
CN-109134983-A High-strength impact-resistant cable sheath material and preparation method thereof 合肥帧讯低温科技有限公司 2019-01-04 CN claimed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
CN-107326473-A A kind of antifouling wear-resisting textile material and preparation method thereof 苏州舒而适纺织新材料科技有限公司 2017-11-07 CN claimed
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-107417719-B Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2022-11-25 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-109054138-A High-hardness wear-resistant cable sheath material and preparation method thereof 合肥帧讯低温科技有限公司 2018-12-21 CN disclosed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN disclosed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN disclosed
US-7544748-B2 Components and catalysis for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2009-06-09 US 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-1838819-A1 REDUCED RVP OXYGENATED GASOLINE COMPOSITION AND METHOD BP Corporation North America Inc. (US) 2007-10-03 EP disclosed
US-20070208150-A1 Components and Catalysis for the Polymerization of Olefins BASELL POLIOLEFINE ITALIA S.R.L (IT) 2007-09-06 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
WO-2006081089-A1 REDUCED RVP OXYGENATED GASOLINE COMPOSITION AND METHOD BP CORPORATION NORTH AMERICA INC. (US) 2006-08-03 WO 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

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 ATM 4228/4885ALDH1A1 492/4885NAAA 4612/4885

“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.