SCHEMBL2069148

SCHEMBL2069148

O=C(CCC(=O)OF)OF

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL20552948 0.86 TSHR (0.50) TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL8005039 0.85 LMNA (0.50) TSHRBLMKDM6BKDM5CEGLN1
SCHEMBL1048350 0.83
SCHEMBL27784079 0.83
Hydrochloric Acid SCHEMBL27999865 0.81
SCHEMBL28034378 0.81
SCHEMBL7790150 0.81
SCHEMBL5803777 0.81
SCHEMBL11671066 0.78
SCHEMBL2231528 0.77

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
CN-108219666-A Counter infrared ray, antibacterial, weatherability Water-based ceramic-imitating coating and preparation method thereof 段宝荣 2018-06-29 CN claimed
CN-108219666-A Counter infrared ray, antibacterial, weatherability Water-based ceramic-imitating coating and preparation method thereof 段宝荣 2018-06-29 CN disclosed
CN-103788070-B The inhibitor class polymers of DPP 4 南京华威医药科技开发有限公司 2017-10-20 CN disclosed
CN-103788070-A DPP-4 inhibitor polymer NANJING HUAWE MEDICAL TECHNOLOGY DEV CO LTD 2014-05-14 CN disclosed
EP-2101772-B1 INTERMEDIATE DURATION NEUROMUSCULAR BLOCKING AGENTS AND ANTAGONISTS THEREOF CORNELL RES FOUNDATION INC (US) 2012-04-25 EP disclosed
US-8148398-B2 Nondepolarizing benzyltetrahydroisoquinoline based relaxants; safer, reduced side effects; kits for intravenous injection and reversing effects CORNELL RESEARCH FOUNDATION, INC. (US) 2012-04-03 US disclosed
EP-2101772-A1 INTERMEDIATE DURATION NEUROMUSCULAR BLOCKING AGENTS AND ANTAGONISTS THEREOF Cornell Research Foundation, Inc. (US) 2009-09-23 EP disclosed
US-20080139482-A1 INTERMEDIATE DURATION NEUROMUSCULAR BLOCKING AGENTS AND ANTAGONISTS THEREOF CORNELL RESEARCH FOUNDATION, INC. 2008-06-12 US disclosed
WO-2008070121-A1 INTERMEDIATE DURATION NEUROMUSCULAR BLOCKING AGENTS AND ANTAGONISTS THEREOF CORNELL RESEARCH FOUNDATION, INC. (US) 2008-06-12 WO disclosed
CN-1012732-B GEN-DIHALO-1, 8-DIAMINO-4-AZA-OCTANES MERRELL DOW PHARMA (US) 1991-06-05 CN disclosed
CN-86105154-A Together with-dihalo-1, the preparation method of 8-diamino-4-azepine-octane 1987-04-22 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-20080139482-A1 INTERMEDIATE DURATION NEUROMUSCULAR BLOCKING AGENTS AND ANTAGONISTS THEREOF CHRNB4, NMBR, CHRNA5 TSHR 805/4885ADRA2A 334/4885ADRA1A 490/4885

“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.