SCHEMBL816848

SCHEMBL816848

O=C(O)CCCCN(C(F)(F)F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TSHR P16473 4/20 0.48
NFKB1 P19838 2/20 0.48
PMP22 Q01453 1/20 0.48
SLC22A6 Q4U2R8 2/20 0.43
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
GPR84 Q9NQS5 4/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
AKR1B1 P15121 1/20 0.41
CYP2D6 P10635 1/20 0.41
FOLH1 Q04609 1/20 0.41
MLYCD O95822 1/20 0.40
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL3337927 0.98 TSHR (0.52) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL13303205 0.98 TSHR (0.52) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL13596345 0.93 LMNA (0.46) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL816963 0.83 EGLN1 (0.47) LMNATSHRNFKB1PMP22SLC22A6
Adipic Acid SCHEMBL8926737 0.74 LMNA (0.92) LMNATSHRNFKB1PMP22SLC22A6
Adipic Acid SCHEMBL429059 0.74 LMNA (0.92) LMNATSHRNFKB1PMP22SLC22A6
Sebacic Acid SCHEMBL8405057 0.71 TSHR (0.92) LMNATSHRNFKB1PMP22SLC22A6
Adipic Acid SCHEMBL10002678 0.71 LMNA (0.85) LMNATSHRNFKB1PMP22SLC22A6
Adipic Acid SCHEMBL2480632 0.71 LMNA (0.85) LMNATSHRNFKB1PMP22SLC22A6
Sebacic Acid SCHEMBL20594219 0.71 TSHR (0.92) LMNATSHRNFKB1PMP22SLC22A6

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-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 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 (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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 LMNA 1688/4885TSHR 1160/4885NFKB1 2320/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 LMNA 2415/4885TSHR 754/4885NFKB1 2280/4885

“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.