SCHEMBL718866

SCHEMBL718866

O=C(CCCCCCCC(=O)OBr)OBr

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 6/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
PAM P19021 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DNM1 Q05193 1/20 0.34

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
SCHEMBL16429438 1.00 DGKA (0.42) DGKATSHRLMNANFKB1PMP22
SCHEMBL689240 1.00 DGKA (0.42) DGKATSHRLMNANFKB1PMP22
SCHEMBL688569 0.97 TSHR (0.43) DGKATSHRLMNANFKB1PMP22
SCHEMBL27426289 0.92 DGKA (0.38) DGKATSHRLMNANFKB1PMP22
SCHEMBL929304 0.90 TSHR (0.50) DGKATSHRLMNAPAMALDH1A1
SCHEMBL9805258 0.89 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL27268594 0.89 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL8645409 0.87 DGKA (0.61) DGKATSHRLMNAPAMALDH1A1
SCHEMBL2734310 0.87 DGKA (0.61) DGKATSHRLMNAPAMALDH1A1
SCHEMBL4288902 0.87 DGKA (0.61) DGKATSHRLMNAPAMALDH1A1

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-111793004-B Bromine-containing compound and preparation method and application thereof 苏州塔霍新材料科技有限公司 2023-03-21 CN disclosed
CN-111793004-A Bromine-containing compound and preparation method and application thereof 桑尼维尔新材料科技(南京)有限公司 2020-10-20 CN disclosed
US-9321017-B2 Gas-separation membrane NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2016-04-26 US disclosed
US-20150033945-A1 GAS-SEPARATION MEMBRANE NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2015-02-05 US disclosed
US-8222446-B2 Method for producing dihydroxybenzene derivative MITSUI CHEMICALS, INC. (JP) 2012-07-17 US disclosed
EP-1820667-B1 PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2012-02-29 EP disclosed
US-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE MITSUI CHEMICALS, INC. (JP) 2011-01-06 US disclosed
EP-2269976-A1 PROCESS FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE Mitsui Chemicals, Inc. (JP) 2011-01-05 EP disclosed
US-7823614-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2010-11-02 US disclosed
US-20090229728-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-09-17 US disclosed
EP-1820667-A1 PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-08-22 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-20110004013-A1 METHOD FOR PRODUCING DIHYDROXYBENZENE DERIVATIVE UBE2B, UBE2G2, TUBB2B DGKA 354/4885TSHR 2733/4885LMNA 3340/4885

“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.