SCHEMBL4894669

SCHEMBL4894669

CCCCCCC(Br)CCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.43
OPRM1 P35372 1/20 0.42
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL28110323 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL4524493 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL28110326 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL8221831 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL28417293 1.00 LCK (0.48) LCKPPARDZDHHC20ZDHHC2TSHR
Phosphine SCHEMBL10866020 0.97 LCK (0.46) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL4533484 0.97 LCK (0.44) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL12214087 0.94 LCK (0.52) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL5902659 0.94 LCK (0.52) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL3095599 0.94 LCK (0.52) LCKPPARDZDHHC20ZDHHC2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111365-B Perfluoro-substituted diamine, preparation method thereof and application thereof in preparation of polyimide film 吉林大学 2020-04-24 CN disclosed
US-8822707-B2 Nucleophile assisting leaving groups FLORIDA ATLANTIC UNIVERSITY (US) 2014-09-02 US disclosed
CN-100427567-C Preparation method of multi-metal oxygen cluster organic/inorganic hybridization liquid crystal material UNIV JILIN (CN) 2008-10-22 CN disclosed
US-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
CN-1919970-A Preparation method of multi-metal oxygen cluster organic/inorganic hybridization liquid crystal material UNIV JILIN (CN) 2007-02-28 CN disclosed
WO-2006060142-A2 NUCLEOPHILE ASSISTING LEAVING GROUPS FLORIDA ATLANTIC UNIVERSITY (US) 2006-06-08 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-20080221347-A1 Oligoether, crown ether linked to an acyclic or cyclic group linked with a sulfonate or silanol leaving group to an alkyl group, an alkenyl group, an alkynyl group or an optionally substituted aromatic or heteroaryl group; stabilized leaving group is more easily displaced OSTC, STS, TST LCK 1487/4885PPARD 3132/4885ZDHHC20 3558/4885

“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.