SCHEMBL764935

SCHEMBL764935

CC(C)Cc1ccc(C(C)(C)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
AKR1C3 P42330 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
TSHR P16473 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
NR1I3 Q14994 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
CXCL8 P10145 1/20 0.46
AKR1C2 P52895 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL24473432 0.84 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL7784324 0.83 PTGS1 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL547420 0.82 TSHR (0.62) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8567450 0.82 PTGS1 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL28905884 0.82 PTGS1 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL4859307 0.82 ESR1 (0.60) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8568757 0.82 PTGS1 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8568763 0.82 PTGS1 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL7323204 0.79 PTGS1 (0.51) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL11766801 0.79 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227499-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-07-20 US disclosed
US-10696857-B2 Curable gellant ink XEROX CORPORATION (US) 2020-06-30 US disclosed
US-20190185694-A1 Curable Gellant Ink XEROX CORPORATION 2019-06-20 US disclosed
US-10308827-B2 Ink jet ink compositions for digital manufacturing of transparent objects XEROX CORPORATION (US) 2019-06-04 US disclosed
US-20180105712-A1 Ink Composition Comprising Phase Change Transfer Additive For Digital Offset Printing XEROX CORPORATION 2018-04-19 US disclosed
US-20180105712-A1 Ink Composition Comprising Phase Change Transfer Additive For Digital Offset Printing XEROX CORPORATION 2018-04-19 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170275486-A1 Curable Gellant Ink Composition XEROX CORPORATION 2017-09-28 US disclosed
US-20170275486-A1 Curable Gellant Ink Composition XEROX CORPORATION 2017-09-28 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
EP-0668259-A1 A method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1995-08-23 EP disclosed
US-5434302-A Method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom PARADIES H HENRICH (DE) 1995-07-18 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 (7 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PTGS1 2769/4885PTGS2 3794/4885LMNA 170/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PTGS1 2769/4885PTGS2 3794/4885LMNA 170/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 PTGS1 1174/4885PTGS2 1785/4885LMNA 4756/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PTGS1 2769/4885PTGS2 3794/4885LMNA 170/4885
US-20230227499-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES PITRM1, NME4, PDF PTGS1 1415/4885PTGS2 1422/4885LMNA 2603/4885
US-10696857-B2 Curable gellant ink LCP1, CCNT1, CRBN PTGS1 1742/4885PTGS2 2396/4885LMNA 1692/4885
US-20190185694-A1 Curable Gellant Ink LCP1, CCNT1, CRBN PTGS1 1742/4885PTGS2 2396/4885LMNA 1692/4885

“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.