SCHEMBL3829660

SCHEMBL3829660

COc1ccc(C(OC)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
PTGS2 P35354 3/20 0.50
PTGS1 P23219 3/20 0.50
CYP1A2 P05177 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
ACP3 P15309 1/20 0.49
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL17295985 1.00 LDHA (0.52) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL17295989 1.00 LDHA (0.52) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9768743 0.86 MEN1 (0.50) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL27634107 0.85 CA1 (0.47) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL29716674 0.84 CES2 (0.47) LDHACYP1A2CA1CA2ACP3
SCHEMBL5041222 0.84 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL24328881 0.83 PTGS2 (0.50) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL4709268 0.83 MAPK1 (0.52) LDHAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5038009 0.83 ACACB (0.53) PTGS1
SCHEMBL2387999 0.83 KMT2A (0.55) AKR1C3AKR1C2PTGS2PTGS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964633-B Preparation method of glabridin 深圳创元生物医药科技有限公司 2024-06-21 CN disclosed
CN-117964633-B Preparation method of glabridin 深圳创元生物医药科技有限公司 2024-06-21 CN disclosed
CN-117964633-A Preparation method of glabridin 深圳创元生物医药科技有限公司 2024-05-03 CN disclosed
CN-117964633-A Preparation method of glabridin 深圳创元生物医药科技有限公司 2024-05-03 CN disclosed
CN-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 CN disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 EP disclosed
EP-3383871-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-09-11 EP disclosed
US-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
EP-3383871-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2018-10-10 EP disclosed
US-9938265-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-04-10 US disclosed
CN-101450950-A Tetracyclic heterocompounds as estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2009-06-10 CN disclosed
WO-2008046527-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 WO disclosed
WO-2008046527-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 WO disclosed
CN-1745085-A Novel tetracyclic heteroatom containing derivatives as selective estrogen receptor modulators ORTHO MCNEIL PHARM INC (US) 2006-03-08 CN disclosed
US-5756504-A TREATMENT OF DYSMENORRHEA, PREVENTION OF PREMATURE LABOR MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0751773-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-07-16 EP disclosed
EP-0751773-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-08 EP disclosed
US-5464788-A Stopping labor MERCK & CO., INC. (US) 1995-11-07 US disclosed
WO-1995025443-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-28 WO disclosed
US-4493823-A USING CARBOXYBENZENE COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-01-15 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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 LDHA 2046/4885AKR1C3 327/4885AKR1C2 611/4885

“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.