SCHEMBL16626102

SCHEMBL16626102

CC1(C)COB(c2ccc(C(F)(F)C(F)(F)c3ccccc3)cc2)OC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
SNCA P37840 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
CCR6 P51684 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL17943286 0.86 SNCA (0.36) LPLLIPGSNCA
SCHEMBL14052906 0.83 SNCA (0.38) LPLLIPGSNCAALDH1A1TSHR
SCHEMBL2274567 0.81 LPL (0.42) LPLLIPGSNCA
SCHEMBL4264297 0.79 SNCA (0.44) LPLLIPGSNCAF11
SCHEMBL26648626 0.78 LIPG (0.59) LPLLIPGSNCAALDH1A1MAPK1
SCHEMBL18339194 0.78 NR1H2 (0.46)
SCHEMBL16382771 0.78 SNCA (0.43) LPLLIPGSNCACCR6KCNH2
SCHEMBL17940673 0.78 ALDH1A1 (0.33) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15300654 0.77 HSD11B1 (0.38) SNCA
SCHEMBL2949055 0.76 SNCA (0.37) SNCA

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 3 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
WO-2015050236-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME ダイキン工業株式会社 2015-04-09 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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 LPL 4234/4885LIPG 4848/4885SNCA 1133/4885

“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.