SCHEMBL6851216

SCHEMBL6851216

CC(C)(C)C(=O)/C=C/c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.62
LMNA P02545 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TP53 P04637 2/20 0.57
TNFRSF1A P19438 1/20 0.56
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPA1 O75762 1/20 0.50
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47

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
SCHEMBL8878144 1.00 HSD11B1 (0.62) HSD11B1LMNAKMT2AMEN1NPC1
SCHEMBL4821062 0.90 KMT2A (0.68) HSD11B1LMNAKMT2AMEN1NPC1
SCHEMBL3136872 0.90 KMT2A (0.68) HSD11B1LMNAKMT2AMEN1NPC1
SCHEMBL1284284 0.82 RAB9A (0.60) LMNAKMT2AMEN1NPC1ALDH1A1
SCHEMBL20585389 0.82 HSD11B1 (0.64) HSD11B1LMNAKMT2AMEN1ALDH1A1
SCHEMBL21235162 0.82 TYR (0.61) HSD11B1LMNAKMT2AMEN1NPC1
SCHEMBL1284286 0.82 RAB9A (0.60) LMNAKMT2AMEN1NPC1ALDH1A1
SCHEMBL27628008 0.82 HSD11B1 (0.64) HSD11B1LMNAKMT2AMEN1ALDH1A1
SCHEMBL10001179 0.81 CYP1A2 (0.68) LMNAKMT2AMEN1NPC1ALDH1A1
SCHEMBL23866749 0.81 LMNA (0.58) LMNAKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 US disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 WO disclosed
US-6787657-B2 INTERMEDIATES FOR DRUGS, AGRICULTURAL CHEMICALS TOSOH CORPORATION (JP) 2004-09-07 US disclosed
US-20010020106-A1 Optically active epoxypropionate derivative, intermediate thereof and processes for their production TOSOH CORPORATION (JP) 2001-09-06 US disclosed
EP-1127885-A2 Optically active epoxypropionate derivatives, intermediates, and processes for their production Tosoh Corporation (JP) 2001-08-29 EP disclosed
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 HSD11B1 287/4885LMNA 2504/4885KMT2A 677/4885
US-20010020106-A1 Optically active epoxypropionate derivative, intermediate thereof and processes for their production CYP11B1, POR, CYP11B2 HSD11B1 29/4885LMNA 2220/4885KMT2A 4473/4885

“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.