Fluoride

Fluoride

SCHEMBL1394508

F.OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2B Q13224 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
ESR1 P03372 1/20 0.46
CYP2C9 P11712 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.43
EPHX2 P34913 4/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL25797411 0.97 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL236361 0.97 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25797414 0.97 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18631604 0.84
SCHEMBL602378 0.80 ALDH1A1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Vinyl Ether SCHEMBL5001702 0.79 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Fluoride SCHEMBL4453455 0.78 EPHX2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acrylic Acid SCHEMBL17107777 0.78 ALDH1A1 (0.43) CYP2C9ALDH1A1TSHREPHX2KMT2A
SCHEMBL1033401 0.78 ESR1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15142249 0.78 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8535862-B2 Electrophotographic photoreceptor, image forming apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2013-09-17 US disclosed
US-20120008978-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2012-01-12 US disclosed
US-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM IDEMITSU KOSAN CO., LTD. (JP) 2009-04-16 US disclosed
EP-2014639-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM Idemitsu Kosan Co., Ltd. (JP) 2009-01-14 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-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM ADGRF1, RFT1, AFF1 GRIN2D 727/4885GRIN3B 748/4885GRIN1 151/4885

“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.