SCHEMBL21767593

SCHEMBL21767593

O=C(O)Cc1ccccc1C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CXCL8 P10145 3/20 0.40
HNF4A P41235 1/20 0.38
PTGS2 P35354 2/20 0.38
AKR1B10 O60218 1/20 0.38
UGT1A9 O60656 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
UGT1A6 P19224 1/20 0.38
UGT1A1 P22309 1/20 0.38
PTGS1 P23219 1/20 0.38
CXCR1 P25024 1/20 0.38
ADRA1A P35348 1/20 0.38
AGTR2 P50052 1/20 0.38
NR1I3 Q14994 1/20 0.38

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
SCHEMBL31071979 1.00 AKR1B1 (0.46) AKR1B1PTGDR2TDP1CXCL8HNF4A
SCHEMBL7968570 0.88 AKR1B1 (0.53) AKR1B1PTGDR2TDP1CXCL8PTGS2
SCHEMBL3633503 0.85 PTGDR2 (0.54) AKR1B1PTGDR2TDP1CXCL8PTGS2
SCHEMBL2550680 0.83 PTGDR2 (0.56) AKR1B1PTGDR2TDP1CXCL8PTGS2
Hydrochloric Acid SCHEMBL11528572 0.82 PTGDR2 (0.55) AKR1B1PTGDR2TDP1CXCL8PTGS2
SCHEMBL21767469 0.82 KDM4E (0.41) PDE10A
SCHEMBL31072042 0.82 KDM4E (0.41) PDE10A
SCHEMBL12281735 0.81 SLC6A2 (0.57) AKR1B1SLC6A2SLC6A4SLC6A3
SCHEMBL22156301 0.80 PDE1A (0.41) PDE10ASLC6A2SLC6A4SLC6A3
SCHEMBL1156415 0.75 SLC6A2 (0.43) AKR1B1PTGDR2ASPHKDM8SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHR¿DINGER, LLC 2024-11-14 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
EP-4086254-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2022-11-09 EP disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 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 (8 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-12459942-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV AKR1B1 4194/4885PTGDR2 2222/4885TDP1 4549/4885
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV AKR1B1 3994/4885PTGDR2 1758/4885TDP1 4473/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV AKR1B1 3994/4885PTGDR2 1758/4885TDP1 4473/4885
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV AKR1B1 3994/4885PTGDR2 1758/4885TDP1 4473/4885
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV AKR1B1 3994/4885PTGDR2 1758/4885TDP1 4473/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV AKR1B1 3994/4885PTGDR2 1758/4885TDP1 4473/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV AKR1B1 4194/4885PTGDR2 2222/4885TDP1 4549/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV AKR1B1 4194/4885PTGDR2 2222/4885TDP1 4549/4885

“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.