SCHEMBL490776

SCHEMBL490776

COc1ccc(C(C)C(=O)O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
AKR1C3 P42330 10/20 0.60
AKR1C2 P52895 10/20 0.60
PTGS2 P35354 3/20 0.60
PTGS1 P23219 2/20 0.60
TSHR P16473 2/20 0.60
CYP1A2 P05177 2/20 0.60
CDC42 P60953 1/20 0.60
RAC1 P63000 1/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
LDHA P00338 1/20 0.53
HIF1A Q16665 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL5122373 1.00 ACHE (0.61) ACHEAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL14032691 1.00 ACHE (0.61) ACHEAKR1C3AKR1C2PTGS2PTGS1
Hydrochloric Acid SCHEMBL3225395 0.98 ACHE (0.59) ACHEAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL16867628 0.89 ACHE (0.53) ACHEAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL19365873 0.89 ACHE (0.53) ACHEAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL16867623 0.89 ACHE (0.53) ACHEAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL3673327 0.87 HIF1A (0.59) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL8193391 0.87 ACHE (0.54) ACHEPTGS2TSHRCYP1A2HIF1A
SCHEMBL7995934 0.86 HIF1A (0.57) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL7995945 0.86 HIF1A (0.57) AKR1C3AKR1C2PTGS2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388355-A Method for preparing dopamine hydrochloride intermediate 山东达冠医药科技有限公司 2024-07-26 CN claimed
CN-112409974-B Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-12-21 CN claimed
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN claimed
EP-4734977-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF Neucures, Inc. (US) 2026-05-06 EP disclosed
WO-2025006675-A9 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-03-13 WO disclosed
US-20250059219-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-02-20 US disclosed
WO-2025006675-A2 NOVEL TRPV1 AGONISTS AND USES THEREOF NEUCURES, INC. (US) 2025-01-02 WO disclosed
CN-118388355-A Method for preparing dopamine hydrochloride intermediate 山东达冠医药科技有限公司 2024-07-26 CN disclosed
WO-2023160582-A1 THIAZOLAMINE MBL INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学 2023-08-31 WO disclosed
CN-116354823-A Preparation method and application of compound 武汉珈海智药科技有限公司 2023-06-30 CN disclosed
WO-2022222686-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2022-10-27 WO disclosed
WO-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
EP-1189897-A1 ISOFLAVONE METABOLITES G.J. Consultants Pty Ltd (AU) 2002-03-27 EP disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 WO disclosed
WO-2000066576-A1 ISOFLAVONE METABOLITES G.J. CONSULTANTS PTY LTD (AU) 2000-11-09 WO disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed
US-4954659-A FOOD PRESERVATIVE CHEMEX PHARMACEUTICALS, INC. (US) 1990-09-04 US disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 (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-20250059219-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF HADHA, HADHB, HADH ACHE 2416/4885AKR1C3 807/4885AKR1C2 495/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 ACHE 4305/4885AKR1C3 175/4885AKR1C2 807/4885

“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.