SCHEMBL5159442

SCHEMBL5159442

CCC1CC(=O)OC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL28110633 0.90 CYP1A2 (0.37) CYP1A2ALDH1A1LMNAMAPTMEN1
SCHEMBL18346643 0.84 CYP1A2 (0.34) CYP1A2ALDH1A1LMNAMAPTMEN1
SCHEMBL27794315 0.84 TSHR (0.40) CYP1A2ALDH1A1MAPTHTTTSHR
SCHEMBL442643 0.80 CYP1A2 (0.46) CYP1A2ALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL12172484 0.78 TSHR (0.40) CYP1A2TSHRSMN1; SMN2
SCHEMBL3688744 0.77 CYP1A2 (0.56) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL9616911 0.75
SCHEMBL8226932 0.75
SCHEMBL28598751 0.75
SCHEMBL4072508 0.75 CYP1A2 (0.65) CYP1A2ALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513164-B Transparent elastomer nanocomposite 3M创新有限公司 2023-04-21 CN disclosed
CN-112513196-B Transparent elastomeric nanocomposite blends 3M创新有限公司 2023-01-10 CN disclosed
US-20170210994-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME, AND METHOD OF MANUFACTURING LIQUID CRYSTAL DISPLAY DEVICE TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-07-27 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed
US-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases AVANIR PHARMACEUTICALS 2005-12-15 US disclosed
US-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed
EP-0415642-B1 Glutarimides ROHM & HAAS (US) 1995-12-06 EP disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 US disclosed
EP-0415641-B1 Substituted glutaramic acids and derivatives ROHM & HAAS (US) 1994-01-19 EP disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 US disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 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 (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-20050277690-A1 Small molecules for treatment of hypercholesterolemia and related diseases LDLR, NPC1L1, CETP CYP1A2 2866/4885ALDH1A1 4484/4885LMNA 1880/4885
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 CYP1A2 1313/4885ALDH1A1 3158/4885LMNA 537/4885

“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.