SCHEMBL1995540

SCHEMBL1995540

CCCCCC(CCBr)CCBr

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
DNM1 Q05193 2/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
FDPS P14324 3/20 0.36
GPR84 Q9NQS5 2/20 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
SCHEMBL18107268 1.00 LMNA (0.50) LMNAOPRM1ALDH1A1TDP1LCK
SCHEMBL28605961 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL28357777 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL27901401 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL18107230 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL28539807 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL28357779 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL18107409 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL17766889 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD
SCHEMBL16737284 0.97 LMNA (0.54) LMNAOPRM1ALDH1A1LCKPPARD

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
US-8709280-B2 Polar nematic compounds VANDERBILT UNIVERSITY (US) 2014-04-29 US disclosed
US-8696933-B2 Polar nematic compounds VANDERBILT UNIVERSITY (US) 2014-04-15 US disclosed
US-20120248373-A1 POLAR NEMATIC COMPOUNDS VANDERBILT UNIVERSITY 2012-10-04 US disclosed
CN-102695741-A Norbornene-type polymers having quaternary ammonium functionality PROMERUS LLC 2012-09-26 CN disclosed
US-20120205582-A1 POLAR NEMATIC COMPOUNDS VANDERBILT UNIVERSITY 2012-08-16 US disclosed
US-8168084-B2 Polar nematic compounds VANDERBILT UNIVERSITY (US) 2012-05-01 US disclosed
US-20110147655-A1 POLAR NEMATIC COMPOUNDS NATIONAL SCIENCE FOUNDATION 2011-06-23 US disclosed
US-3933837-A 3,4-Methylenedioxyphenoxy-alkyl diketones and keto-esters STERLING DRUG INC. (US) 1976-01-20 US 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 (3 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-20120205582-A1 POLAR NEMATIC COMPOUNDS BCOR, LATS1, LATS2 LMNA 2172/4885OPRM1 2491/4885ALDH1A1 4664/4885
US-20120248373-A1 POLAR NEMATIC COMPOUNDS LATS2, CCNH, CRY1 LMNA 2035/4885OPRM1 3511/4885ALDH1A1 4318/4885
US-20110147655-A1 POLAR NEMATIC COMPOUNDS BCOR, LATS1, LATS2 LMNA 2172/4885OPRM1 2491/4885ALDH1A1 4664/4885

“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.