SCHEMBL1164664

SCHEMBL1164664

COc1ccc(C(=O)Cl)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
TAS1R3 Q7RTX0 9/20 0.51
TAS1R1 Q7RTX1 9/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
TPMT P51580 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL10918025 0.86 LMNA (0.44) ALOX15TAS1R3TAS1R1CYP1A2CYP3A4
SCHEMBL22035 0.85 TSHR (0.50) TAS1R3TAS1R1CYP1A2CYP3A4CYP2C9
SCHEMBL30469876 0.85 TSHR (0.50) TAS1R3TAS1R1CYP1A2CYP3A4CYP2C9
SCHEMBL29521706 0.84 TSHR (0.70) ALOX15CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL11577171 0.84 CYP1A2 (0.70) ALOX15TAS1R3TAS1R1CYP1A2CYP3A4
SCHEMBL184025 0.84 TSHR (0.70) ALOX15CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL701782 0.82 CA12 (0.71) ALOX15TAS1R3TAS1R1CYP1A2CYP3A4
SCHEMBL31003218 0.82 ALDH1A1 (0.56) ALOX15TAS1R3TAS1R1CYP1A2CYP3A4
SCHEMBL195793 0.82 ALDH1A1 (0.56) ALOX15TAS1R3TAS1R1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8590467 0.82 TSHR (0.68) ALOX15CYP1A2CYP3A4CYP2C9TSHR

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109668987-A A kind of 3- amino piperidine dihydrochloride enantiomter measurement analysis method 浙江华贝药业有限责任公司 2019-04-23 CN claimed
US-12281060-B2 Remodilins for airway remodeling and organ fibrosis THE UNIVERSITY OF CHICAGO (US) 2025-04-22 US disclosed
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2024-12-19 US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 US disclosed
US-20240025838-A1 ESTER COMPOUND MITSUI CHEMICALS, INC. (JP) 2024-01-25 US disclosed
EP-4206182-A1 ESTER COMPOUND Mitsui Chemicals, Inc. (JP) 2023-07-05 EP disclosed
US-20220177422-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS THE UNIVERSITY OF CHICAGO (US) 2022-06-09 US disclosed
WO-2022045231-A1 ESTER COMPOUND 三井化学株式会社 2022-03-03 WO disclosed
US-20220040207-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2022-02-10 US disclosed
EP-3946301-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS The University of Chicago (US) 2022-02-09 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
CN-1720047-A PgD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2006-01-11 CN disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 US 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-20220040207-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA HIF1AN, RHOXF2, HIF1A ALOX15 3924/4885TAS1R3 4288/4885TAS1R1 4596/4885
US-20220177422-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS MYLK, MFAP1, FIBP ALOX15 3082/4885TAS1R3 3357/4885TAS1R1 3592/4885
US-20240025838-A1 ESTER COMPOUND NR1H3, CYP4A11, H1-4 ALOX15 257/4885TAS1R3 3274/4885TAS1R1 3030/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALOX15 122/4885TAS1R3 1647/4885TAS1R1 1111/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALOX15 118/4885TAS1R3 1722/4885TAS1R1 1402/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 ALOX15 101/4885TAS1R3 1979/4885TAS1R1 1358/4885
US-12281060-B2 Remodilins for airway remodeling and organ fibrosis MYLK, MFAP1, FIBP ALOX15 3082/4885TAS1R3 3357/4885TAS1R1 3592/4885
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA HIF1AN, RHOXF2, HIF1A ALOX15 3924/4885TAS1R3 4288/4885TAS1R1 4596/4885

“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.