SCHEMBL5845762

SCHEMBL5845762

CC(C(=O)O)c1ccc(CC(C)(C)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.59
PTGS1 P23219 13/20 0.59
AKR1C3 P42330 3/20 0.59
LMNA P02545 2/20 0.59
CYP2C9 P11712 2/20 0.59
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
AKR1C2 P52895 2/20 0.59
ALB P02768 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX5 P09917 1/20 0.59
RARB P10826 1/20 0.59
ADRB3 P13945 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR2A P28223 1/20 0.59
NR1I3 Q14994 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
CXCL8 P10145 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL10912397 0.88 PTGS2 (0.61) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL8734620 0.86 PTGS2 (0.62) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11438957 0.86 PTGS2 (0.62) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL5157269 0.84 PTGS2 (0.61) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL2829730 0.83 PTGS2 (0.59) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL16413957 0.83 PTGS2 (0.59) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL6687476 0.83 PTGS2 (0.59) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL2888908 0.83 PTGS2 (0.59) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL7433388 0.81 PTGS2 (0.57) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL16879772 0.79 PTGS2 (0.54) PTGS2PTGS1AKR1C3LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342938-A Preparation method of ibuprofen 常州大学 2024-01-05 CN claimed
CN-111787915-A Improved stability product comprising a local anesthetic, a buffering agent and a glycosaminoglycan in a syringe 尤里根制药股份有限公司 2020-10-16 CN claimed
CN-103565733-A Ibuprofen sodium chloride injection preparation with pH of 6.0-6.5, and preparation method thereof NANJING DIYI MEDICAL TECHNOLOGY CO LTD 2014-02-12 CN claimed
CN-117342938-A Preparation method of ibuprofen 常州大学 2024-01-05 CN disclosed
CN-111787915-A Improved stability product comprising a local anesthetic, a buffering agent and a glycosaminoglycan in a syringe 尤里根制药股份有限公司 2020-10-16 CN disclosed
US-10343977-B2 Tetrahydro-isohumulone derivatives, methods of making and using KINDEX PHARMACEUTICALS, INC. (US) 2019-07-09 US disclosed
EP-2870133-B1 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING KINDEX PHARMACEUTICALS INC (US) 2019-02-13 EP disclosed
US-20180297934-A1 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING KINDEX PHARMACEUTICALS, INC. 2018-10-18 US disclosed
US-9828331-B2 Tetrahydro-isohumulone derivatives, methods of making and using KINDEX PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
EP-2870133-A2 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING Kindex Pharmaceuticals, Inc. (US) 2015-05-13 EP disclosed
US-20150119461-A1 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING KINDEX PHARMACEUTICALS, INC. 2015-04-30 US disclosed
CN-103565733-A Ibuprofen sodium chloride injection preparation with pH of 6.0-6.5, and preparation method thereof NANJING DIYI MEDICAL TECHNOLOGY CO LTD 2014-02-12 CN disclosed
WO-2014011680-A2 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING KONDA VEERA (US) 2014-01-16 WO disclosed
US-7012138-B1 Chiral polysaccharide esters, one of the methods for preparing them and their uses for obtaining optically enriched acids or for chiral chromatography UNIVERSITE DE DROIT D'ECONOMIE ET DES SCIENCES D'AIZ-MARSEILLE (FR) 2006-03-14 US disclosed
CN-1665492-A Platform for transdermal formulations (ptf) HOLDEN DEV LTD (VG) 2005-09-07 CN disclosed
US-20050118241-A1 Platform for transdermal formulations (ptf) HOLDEN DEVELOPMENT LIMITED (VG) 2005-06-02 US disclosed
EP-1515706-A2 A PLATFORM FOR TRANSDERMAL FORMULATIONS (PTF) Holden Development Limited (VG) 2005-03-23 EP disclosed
WO-2004002444-A2 A PLATFORM FOR TRANSDERMAL FORMULATIONS (PTF) HOLDEN DEVELOPMENT LIMITED (DE) 2004-01-08 WO disclosed
US-5660851-A COVALENT ATTACHMENTOF A CARBOXYLIC ACID-CONTAINING ACTIVE MATERIAL THROUGH ANHYDRIDE BONDS TO A POLYMER THAT CONTAINS PENDANT CARBOXYLIC ACID GROUPS; DRUG DELIVERY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIV. OF JERUSALEM (IL) 1997-08-26 US disclosed
WO-1996039095-A1 OCULAR INSERTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (US) 1996-12-12 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 (3 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-20180297934-A1 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING PPARA, PPARG, PTGES PTGS2 34/4885PTGS1 19/4885AKR1C3 1387/4885
US-10343977-B2 Tetrahydro-isohumulone derivatives, methods of making and using PPARA, PPARG, PTGES PTGS2 34/4885PTGS1 19/4885AKR1C3 1387/4885
US-20150119461-A1 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING PPARA, PPARG, PTGES PTGS2 34/4885PTGS1 19/4885AKR1C3 1387/4885

“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.