SCHEMBL2506281

SCHEMBL2506281

COc1cc(C(O)C=O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ CYP3A4 P08684 1/20 0.58
▸ NFKB1 P19838 1/20 0.57
▸ PMP22 Q01453 1/20 0.55
▸ TRIM24 O15164 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALDH5A1 P51649 1/20 0.54
▸ ABAT P80404 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ TRIM33 Q9UPN9 1/20 0.54
▸ SLC22A3 O75751 1/20 0.51
▸ TRPA1 O75762 1/20 0.50
▸ XDH P47989 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 2/20 0.48

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
SCHEMBL30924863 1.00 TSHR (0.61) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL8076108 0.91 TSHR (0.52) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL12918949 0.83 TSHR (0.58) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL85711 0.83 TSHR (0.58) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL11187053 0.83 TSHR (0.57) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL1360247 0.83 TRPA1 (0.59) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL16212030 0.81 TSHR (0.55) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL3988408 0.81 ALDH1A1 (0.47) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL15270084 0.80 PKM (0.46) TSHRBLMNPSR1CYP3A4HPGD
SCHEMBL5791212 0.80 TSHR (0.55) TSHRBLMNPSR1CYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114965727-A Application of biomarker in preparation of product for diagnosing, assisting in diagnosing or predicting polycystic ovary syndrome 北京三元食品股份有限公司 2022-08-30 — — CN claimed
WO-2013173332-A1 METHOD FOR SELECTIVE PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM PLANT LIGNIN Vertichem Corporation (CA) 2013-11-21 — — WO claimed
WO-2013134756-A1 A METHOD FOR TIERED PRODUCTION OF BIOBASED CHEMICALS AND BIOFUELS FROM LIGNIN Vertichem Corporation (CA) 2013-09-12 — — WO claimed
US-6284750-B1 DRUG, COSMETICS STEROID ESTEE LAUDER INC. 2001-09-04 — — US claimed
EP-0876391-B1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 2000-08-16 — — EP claimed
US-6025347-A Steroid esters useful against skin disorders ESTEE LAUDER INC. (US) 2000-02-15 — — US claimed
US-5948418-A MERCAPTANS ESTEE LAUDER, INC. (US) 1999-09-07 — — US claimed
US-5683705-A Sulfur-based amides and bis-amides useful against skin disorders ESTEE LAUDER, INC. (US) 1997-11-04 — — US claimed
EP-4181781-B1 BREATH-BASED THERAPEUTIC DRUG MONITORING METHOD UNIV KINDERSPITAL BEIDER BASEL (CH) 2026-05-20 — — EP disclosed
EP-4627069-A1 FOOD AND PHARMACEUTICAL COMPOSITION FOR DETOXIFYING ENDOGENOUS ALDEHYDES Picoentech Co., Ltd. (KR) 2025-10-08 — — EP disclosed
US-20250044306-A1 Methods for Determining Opioid Responsiveness in the Treatment of Pain EAST CAROLINA UNIVERSITY 2025-02-06 — — US disclosed
US-20240182915-A1 FOOD AND PHARMACEUTICAL COMPOSITION FOR DETOXIFYING ENDOGENOUS ALDEHYDES PICOENTECH Co., LTD. (KR) 2024-06-06 — — US disclosed
WO-2024117698-A1 FOOD AND PHARMACEUTICAL COMPOSITION FOR DETOXIFYING ENDOGENOUS ALDEHYDES PICOENTECH Co., LTD. (KR) 2024-06-06 — — WO disclosed
US-20240108597-A1 GALLOYLATED PROCYANIDINS FOR INCREASING INTRACELLULAR NITRIC OXIDE PRODUCTION UNIVERSITY OF SOUTH FLORIDA (US) 2024-04-04 — — US disclosed
US-6284750-B1 DRUG, COSMETICS STEROID ESTEE LAUDER INC. 2001-09-04 — — US disclosed
EP-0876391-B1 NOVEL STEROID ESTERS USEFUL AGAINST SKIN DISORDERS ESTEE LAUDER INC (US) 2000-08-16 — — EP disclosed
US-6025347-A Steroid esters useful against skin disorders ESTEE LAUDER INC. (US) 2000-02-15 — — US disclosed
US-5948418-A MERCAPTANS ESTEE LAUDER, INC. (US) 1999-09-07 — — US disclosed
US-5736537-A Dehydroep:androsterone sailcylate useful against skin atrophy ESTEE LAUDER, INC. (US) 1998-04-07 — — US disclosed
US-5683705-A Sulfur-based amides and bis-amides useful against skin disorders ESTEE LAUDER, INC. (US) 1997-11-04 — — 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 (1 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-20240108597-A1 GALLOYLATED PROCYANIDINS FOR INCREASING INTRACELLULAR NITRIC OXIDE PRODUCTION NOS1, NOS2, TNNC1 TSHR 4721/4885BLM 3555/4885NPSR1 3480/4885

“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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