SCHEMBL5137465

SCHEMBL5137465

C=CC(=O)OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C(F)(C2(F)F)C(F)(F)C1(F)C3(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.31
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4816348 0.88
SCHEMBL4642632 0.84 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL137442 0.83 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3813864 0.82 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4642583 0.82 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL822781 0.81 TSHR (0.30) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4323604 0.78 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4817605 0.77
SCHEMBL14510508 0.76
SCHEMBL4100640 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460057-B1 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU KOSAN CO (JP) 2006-12-13 EP claimed
US-7084295-B2 Perfluoroadamantyl acrylate compound and intermediate therefor IDEMITSU KOSAN CO., LTD. (JP) 2006-08-01 US claimed
US-20050131247-A1 Perfluoroadamantly acrylate compound and intermediate therefor IDEMITDU PETROCHEMICAL CO., LTD (JP) 2005-06-16 US claimed
EP-1460057-A1 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-09-22 EP claimed
US-7402714-B2 Fluoroadamantane derivative ASAHI GLASS COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-20070129566-A1 FLUOROADAMANTANE DERIVATIVE ASAHI GLASS COMPANY, LIMITED (JP) 2007-06-07 US disclosed
EP-1757575-A1 FLUOROADAMANTANE DERIVATIVE Asahi Glass Company, Limited (JP) 2007-02-28 EP disclosed
EP-1460057-B1 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU KOSAN CO (JP) 2006-12-13 EP disclosed
EP-1460057-B1 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU KOSAN CO (JP) 2006-12-13 EP disclosed
US-7084295-B2 Perfluoroadamantyl acrylate compound and intermediate therefor IDEMITSU KOSAN CO., LTD. (JP) 2006-08-01 US disclosed
US-7084295-B2 Perfluoroadamantyl acrylate compound and intermediate therefor IDEMITSU KOSAN CO., LTD. (JP) 2006-08-01 US disclosed
US-7084295-B2 Perfluoroadamantyl acrylate compound and intermediate therefor IDEMITSU KOSAN CO., LTD. (JP) 2006-08-01 US disclosed
EP-1460057-A4 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU KOSAN CO (JP) 2005-12-07 EP disclosed
US-20050131247-A1 Perfluoroadamantly acrylate compound and intermediate therefor IDEMITDU PETROCHEMICAL CO., LTD (JP) 2005-06-16 US disclosed
US-20050131247-A1 Perfluoroadamantly acrylate compound and intermediate therefor IDEMITDU PETROCHEMICAL CO., LTD (JP) 2005-06-16 US disclosed
EP-1460057-A1 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-09-22 EP disclosed
EP-1460057-A1 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-09-22 EP disclosed
WO-2003055841-A1 PERFLUOROADAMANTYL ACRYLATE COMPOUND AND INTERMEDIATE THEREFOR IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2003-07-10 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-20050131247-A1 Perfluoroadamantly acrylate compound and intermediate therefor FFAR3, PFAS, FFAR1 TSHR 840/4885ALDH1A1 665/4885TP53 1646/4885
US-20070129566-A1 FLUOROADAMANTANE DERIVATIVE AFF1, AFF2, AFF4 TSHR 676/4885ALDH1A1 175/4885TP53 4546/4885

“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.