SCHEMBL490400

SCHEMBL490400

COc1cc(OC)cc(C(C)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.61
AKR1C2 P52895 8/20 0.61
PTGS2 P35354 5/20 0.61
PTGS1 P23219 3/20 0.61
CDC42 P60953 1/20 0.61
RAC1 P63000 1/20 0.61
CYP1A2 P05177 1/20 0.61
TSHR P16473 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
APP P05067 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL15506110 1.00 AKR1C3 (0.61) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL15506199 1.00 AKR1C3 (0.61) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL17694468 0.89 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL17694473 0.89 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL17694465 0.89 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL23198285 0.89 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL24094555 0.88 PTGS2 (0.52) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL14605692 0.87 PTGS1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL27634481 0.85 KMT2A (0.48) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL586419 0.83 AKR1C3 (0.54) AKR1C3AKR1C2PTGS2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444708-B1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER (US) 2025-07-30 EP disclosed
US-20250129048-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2025-04-24 US disclosed
US-20240351966-A1 CLASS OF ALKYLPHENOL COMPOUNDS AND PREPARATION METHOD THEREFOR SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-10-24 US disclosed
US-11964956-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2024-04-23 US disclosed
EP-4353706-A1 CLASS OF ALKYLPHENOL COMPOUNDS AND PREPARATION METHOD THEREFOR Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-04-17 EP disclosed
CN-115322077-B Alkylphenol compounds and preparation method thereof 中国科学院上海药物研究所 2024-03-15 CN disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 WO disclosed
CN-115872930-A N-substituted 3,4-dihydroisoquinoline-1 (2H) -ketone derivative, composition thereof and application thereof in medicines 贵州医科大学 2023-03-31 CN disclosed
WO-2022237852-A1 CLASS OF ALKYLPHENOL COMPOUNDS AND PREPARATION METHOD THEREFOR 中国科学院上海药物研究所 2022-11-17 WO disclosed
CN-115322077-A Alkylphenol compounds and preparation method thereof 中国科学院上海药物研究所 2022-11-11 CN disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN disclosed
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-1995011880-A1 SUBSTITUTED AMIDES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-05-04 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 (5 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-11964956-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 AKR1C3 1806/4885AKR1C2 1779/4885PTGS2 629/4885
US-20080152603-A1 Antioxidants GPX4, GPX1, CAT AKR1C3 289/4885AKR1C2 266/4885PTGS2 320/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 AKR1C3 733/4885AKR1C2 1012/4885PTGS2 1873/4885
US-20250129048-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF MC4R, MC3R, MC2R AKR1C3 468/4885AKR1C2 881/4885PTGS2 4175/4885
US-20240351966-A1 CLASS OF ALKYLPHENOL COMPOUNDS AND PREPARATION METHOD THEREFOR CYP4A11, CYP27A1, CYP4F11 AKR1C3 207/4885AKR1C2 105/4885PTGS2 1741/4885

“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.