SCHEMBL9118030

SCHEMBL9118030

CC(C)Cc1ccc([C@H](C)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.59
PTGS2 P35354 4/20 0.59
CXCR1 P25024 3/20 0.59
CXCR2 P25025 3/20 0.59
ALOX5 P09917 3/20 0.59
LMNA P02545 2/20 0.59
CYP2C9 P11712 2/20 0.59
AKR1C3 P42330 2/20 0.59
ALB P02768 1/20 0.59
ESR1 P03372 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
AKR1C2 P52895 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
SCHEMBL4049764 1.00 PTGS1 (0.59) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL8559655 1.00 PTGS1 (0.59) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL6436870 0.86 ESR1 (0.48) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL12030802 0.86 PTGS1 (0.59) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL9340078 0.86 PTGS1 (0.59) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL23634205 0.82 PTGS1 (0.55) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL13993311 0.82 PTGS1 (0.55) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL28533038 0.82 PTGS1 (0.55) PTGS1PTGS2CXCR1CXCR2ALOX5
Hydrogen Peroxide SCHEMBL9581174 0.82 PTGS1 (0.64) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL1131597 0.82 PTGS1 (0.56) PTGS1PTGS2CXCR1CXCR2ALOX5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639326-B2 Continuous flow synthesis of ibuprofen SRI INTERNATIONAL (US) 2023-05-02 US disclosed
US-11639326-B2 Continuous flow synthesis of ibuprofen SRI INTERNATIONAL (US) 2023-05-02 US disclosed
US-20210114962-A1 CONTINUOUS FLOW SYNTHESIS OF IBUPROFEN SRI INTERNATIONAL 2021-04-22 US disclosed
EP-0398288-B1 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids PUETTER MEDICE CHEM PHARM (DE) 1995-10-18 EP disclosed
US-5380927-A Process for preparing optically active 2-aryl-alkanoic acids, in particular 2-aryl-propionic acids MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1995-01-10 US disclosed
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
US-5266723-A Process for the preparation of optically active 2-aryl-alkanoic acids, especially 2-aryl-propionic acids MEDICE, LTD., CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1993-11-30 US disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed
CN-1068816-A indole derivatives PFIZER (US) 1993-02-10 CN disclosed
CN-1068817-A INDOLE DERIVATIVES PFIZER (US) 1993-02-10 CN disclosed
WO-1993002051-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO disclosed
WO-1993002050-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO disclosed
EP-0398288-A2 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1990-11-22 EP 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-20210114962-A1 CONTINUOUS FLOW SYNTHESIS OF IBUPROFEN PTGES2, PTGS2, PTGES PTGS1 4/4885PTGS2 2/4885CXCR1 3077/4885
US-11639326-B2 Continuous flow synthesis of ibuprofen PTGES2, PTGS2, PTGES PTGS1 4/4885PTGS2 2/4885CXCR1 3077/4885

“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.