SCHEMBL5968748

SCHEMBL5968748

O=C(O)Cc1cccc(CCO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.52
▸ CYP4F2 P78329 2/20 0.50
▸ CYP4A11 Q02928 2/20 0.50
▸ ACMSD Q8TDX5 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ RGS12 O14924 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ BLM P54132 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
SCHEMBL4402323 0.90 AKR1B1 (0.62) AKR1B1TDP1CYP1A2CYP2C19LMNA
SCHEMBL70565 0.87 AKR1B1 (0.71) AKR1B1TDP1CYP1A2CYP2C19LMNA
Hydrochloric Acid SCHEMBL8922940 0.85 AKR1B1 (0.68) AKR1B1TDP1CYP1A2CYP2C19LMNA
SCHEMBL30638471 0.84 KEAP1 (0.63) AKR1B1TDP1CYP1A2CYP2C19LMNA
SCHEMBL4407150 0.84 KEAP1 (0.63) AKR1B1TDP1CYP1A2CYP2C19LMNA
Phenylacetic Acid SCHEMBL29278083 0.83 AKR1B1 (0.74) AKR1B1TDP1CYP4F2CYP4A11LMNA
SCHEMBL1401775 0.83 AKR1B1 (0.60) AKR1B1TDP1ACMSDCYP1A2CYP2C19
SCHEMBL239199 0.82 TDP1 (0.65) TDP1CYP4F2CYP4A11ACMSDLMNA
SCHEMBL15042342 0.82 AKR1B1 (0.54) AKR1B1TDP1CYP1A2CYP2C19LMNA
SCHEMBL27856647 0.82 AKR1B1 (0.54) AKR1B1TDP1CYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 — — US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 — — US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 — — EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 — — CN disclosed
CN-102863512-B Antiviral compound PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2016-04-20 — — CN disclosed
WO-2013006792-A1 ANTIVIRAL COMPOUNDS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2013-01-10 — — WO disclosed
CN-102863512-A Novel antiviral compound SHANGHAI HONGBO ZHIYUAN MEDICAL TECHNOLOGY CO LTD 2013-01-09 — — CN disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 — — EP disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 — — WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 — — 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 AKR1B1 85/4885TDP1 4253/4885CYP4F2 20/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 AKR1B1 85/4885TDP1 4253/4885CYP4F2 20/4885

“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.

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