SCHEMBL2180508

SCHEMBL2180508

CCC(OC(C)=O)(OC(C)=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 8/20 0.36
TSHR P16473 4/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10276897 0.74
SCHEMBL1584536 0.74 GAA (0.48) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL21847337 0.73 GAA (0.43) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL812117 0.70 GAA (0.44) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL144976 0.70 GAA (0.44) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL12937360 0.70 GAA (0.50) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL16320893 0.70 GAA (0.40) GAAALDH1A1TSHRLMNAHSD17B10
SCHEMBL3245939 0.69 ALDH1A1 (0.40) ALDH1A1TSHRTDP1
SCHEMBL66105 0.69
SCHEMBL7481733 0.69 GAA (0.42) GAAALDH1A1TSHRLMNAHSD17B10

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
WO-2022065215-A1 COMPOSITION, FILM, OPTICAL FILTER, SOLID-STATE IMAGING SENSOR, IMAGE DISPLAY DEVICE, INFRARED SENSOR, CAMERA MODULE, COMPOUND, AND INFRARED ABSORBER 富士フイルム株式会社 2022-03-31 WO disclosed
WO-2021024863-A1 ADHESIVE SHEET AND USE THEREOF 日東電工株式会社 2021-02-11 WO disclosed
WO-2021024741-A1 LAYERED ARTICLE AND PEELING METHOD 日東電工株式会社 2021-02-11 WO disclosed
WO-2020246529-A1 ADHESIVE COMPOSITION AND SURFACE PROTECTIVE FILM DIC株式会社 2020-12-10 WO disclosed
WO-2020218154-A1 PRESSURE-SENSITIVE ADHESIVE SHEET AND USE THEREOF 日東電工株式会社 2020-10-29 WO disclosed
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
EP-0705837-B1 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES (JP) 2002-08-07 EP disclosed
US-5744604-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
US-5677455-A Preparation of 3-oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0705837-A2 Preparation of 3-Oxy-5-oxo-6-heptenoic acid derivatives UBE INDUSTRIES, LTD. (JP) 1996-04-10 EP disclosed
EP-0367235-B1 Thienopyridine type mevalonolactones NISSAN CHEMICAL IND LTD (JP) 1994-06-15 EP disclosed
US-5026698-A For reducing hyperlipidemia, hyperlipoproteinemia and atheroscierosis NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-25 US disclosed
EP-0367235-A1 Thienopyridine type mevalonolactones NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-05-09 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B GAA 1833/4885ALDH1A1 1520/4885TSHR 4405/4885

“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.