SCHEMBL689503

SCHEMBL689503

O=C(O)C(Br)CCCCCCCCC(Br)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.77
PPARD Q03181 1/20 0.77
ZDHHC20 Q5W0Z9 1/20 0.77
ZDHHC2 Q9UIJ5 1/20 0.77
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
ZDHHC7 Q9NXF8 2/20 0.45
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
GSR P00390 1/20 0.37
CPB2 Q96IY4 2/20 0.37
ACE2 Q9BYF1 1/20 0.37
RNPEP Q9H4A4 1/20 0.36
FOLH1 Q04609 1/20 0.35

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
SCHEMBL9621074 1.00 LCK (0.77) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL7658440 1.00 LCK (0.77) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL22826569 1.00 LCK (0.77) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL688574 1.00 LCK (0.77) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL689632 1.00 LCK (0.77) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL1449604 0.97 LCK (0.73) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL2122342 0.91 LCK (0.65) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL29196173 0.90 LCK (0.65) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL22814782 0.90 LCK (0.65) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL10736739 0.90 LCK (0.65) LCKPPARDZDHHC20ZDHHC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279978-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS Epis S.A. (CH) 1992-01-02 EP claimed
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 LCK 1463/4885PPARD 2623/4885ZDHHC20 1030/4885

“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.