SCHEMBL5524734

SCHEMBL5524734

CC1(C)COB(c2ccc(Cl)cc2)OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
MAPK1 P28482 2/20 0.33
CHRNA1 P02708 2/20 0.33
CHRNG P07510 2/20 0.33
CHRNB1 P11230 2/20 0.33
CHRNB2 P17787 2/20 0.33
SLC6A2 P23975 2/20 0.33
CHRNB4 P30926 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRND Q07001 2/20 0.33
LPL P06858 3/20 0.32
LIPG Q9Y5X9 3/20 0.32
LMNA P02545 1/20 0.32
CYP2A6 P11509 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL4266060 0.94 SNCA (0.43) SNCALPLLIPGPTGS1PTGS2
SCHEMBL4264297 0.89 SNCA (0.44) SNCALPLLIPG
SCHEMBL4257326 0.83 SNCA (0.48) SNCALPLLIPG
SCHEMBL12370809 0.82 SNCA (0.41) SNCACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5892468 0.80 SNCA (0.35) SNCACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3186952 0.80 SNCA (0.40) SNCALPLLIPGKMT2A
SCHEMBL3711441 0.80 SNCA (0.40) SNCALPLLIPG
SCHEMBL5528199 0.80 SNCA (0.40) SNCALPLLIPGCYP2A6
SCHEMBL1136930 0.80 LPL (0.52) SNCACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL9935185 0.80 SNCA (0.40) SNCALPLLIPGLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
US-20070105826-A1 Novel fusidic acid derivatives LEO PHARMA A/S (DK) 2007-05-10 US disclosed
EP-1658305-A1 NOVEL FUSIDIC ACID DERIVATIVES Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005007669-A1 NOVEL FUSIDIC ACID DERIVATIVES LEO PHARMA A/S (DK) 2005-01-27 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 (2 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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 SNCA 1133/4885MAPK1 1414/4885CHRNA1 2761/4885
US-20070105826-A1 Novel fusidic acid derivatives FUS, Q6ZSR9, RPL24 SNCA 4592/4885MAPK1 2474/4885CHRNA1 4880/4885

“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.