SCHEMBL2079668

SCHEMBL2079668

O=C1CC(C(=O)O)CC(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 2/20 0.48
OAT P04181 1/20 0.44
GABRR1 P24046 1/20 0.43
MAPT P10636 1/20 0.39
POLB P06746 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ACE P12821 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
APLNR P35414 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL2083101 1.00 ABAT (0.48) ABATOATGABRR1MAPTPOLB
SCHEMBL301495 0.88
SCHEMBL28490005 0.86
Benzene SCHEMBL27796799 0.83 AKR1C3 (0.43) ABATGABRR1MAPTPOLBCYP2C19
SCHEMBL1650296 0.83 BRD4 (0.44) ABATOATMAPTCYP1A2KMT2A
SCHEMBL15106137 0.79 ABAT (0.41) ABATOATGABRR1MAPTPOLB
SCHEMBL15116653 0.79 ABAT (0.41) ABATOATGABRR1MAPTPOLB
SCHEMBL1839380 0.78 MAPT (0.44) ABATMAPTPOLBCYP2C19CYP1A2
SCHEMBL21783791 0.78 ABAT (0.34) ABATOATMAPT
SCHEMBL23366184 0.75 CYP2C19 (0.50) ABATGABRR1CYP2C19CYP2D6CYP1A2

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
US-11415887-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-16 US disclosed
US-20210302838-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-30 US disclosed
US-20200272048-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-27 US disclosed
US-20200241414-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-7897611-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2011-03-01 US disclosed
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-07-15 US disclosed
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2010-06-17 US disclosed
EP-1678172-B1 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-12-09 EP disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 US disclosed
US-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders TARGACEPT, INC. (US) 2008-10-02 US disclosed
US-7402592-B2 Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders TARGACEPT, INC. (US) 2008-07-22 US disclosed
EP-1858857-A1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS Eli Lilly & Company (US) 2007-11-28 EP disclosed
WO-2006096358-A1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-09-14 WO disclosed
EP-1678172-A2 AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS Targacept, Inc. (US) 2006-07-12 EP disclosed
WO-2005037832-A9 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS 2006-01-26 WO disclosed
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-12-22 US disclosed
WO-2005037832-A2 AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. (US) 2005-04-28 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 (6 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-20080242693-A1 Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders OPRL1, OPRK1, COMT ABAT 874/4885OAT 1259/4885GABRR1 235/4885
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists CHRNA1, CHRNA7, CHRNB1 ABAT 1776/4885OAT 3657/4885GABRR1 199/4885
US-20200241414-A1 RESIST COMPOSITION AND PATTERNING PROCESS INSR, HNRNPU, HNRNPR ABAT 3326/4885OAT 2983/4885GABRR1 1538/4885
US-20050282823-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT ABAT 874/4885OAT 1259/4885GABRR1 235/4885
US-20100179183-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT ABAT 874/4885OAT 1259/4885GABRR1 235/4885
US-20100152228-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS OPRL1, OPRK1, COMT ABAT 874/4885OAT 1259/4885GABRR1 235/4885

“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.