SCHEMBL6964334

SCHEMBL6964334

CC(C)(C)C(=O)C(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
MAPK1 P28482 1/20 0.58
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HPGD P15428 1/20 0.52
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
RIPK1 Q13546 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AOC3 Q16853 1/20 0.41

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
SCHEMBL13049312 1.00 LMNA (0.58) LMNAMAPK1CES2CES1HPGD
SCHEMBL8905621 1.00 LMNA (0.58) LMNAMAPK1CES2CES1HPGD
SCHEMBL8462436 0.80 SRC (0.56) LMNAMAPK1CES2CES1HSP90AA1
SCHEMBL409758 0.80 POLB (0.50) LMNAMAPK1CES2CES1HSP90AA1
SCHEMBL10443875 0.79 HDAC3 (0.41) LMNAMAPK1CES2CES1MAPT
SCHEMBL9280967 0.79 BRD4 (0.46) LMNAMAPK1HPGDMAPTALDH1A1
SCHEMBL13594127 0.78 PTGS2 (0.48) LMNAHSP90AA1MAPTGPR55KDM4E
SCHEMBL14723653 0.78 PTGS2 (0.48) LMNAHSP90AA1MAPTGPR55KDM4E
SCHEMBL12666540 0.78 PTGS2 (0.48) LMNAHSP90AA1MAPTGPR55KDM4E
SCHEMBL14664123 0.77 SMN1; SMN2 (0.49) LMNACYP3A4L3MBTL1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041588-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2022-02-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
EP-1095937-B1 Process for the preparation of trisubstituted oxazoles OREAL (FR) 2003-03-12 EP disclosed
US-6333414-B1 BY REACTION OF THIOUREA WITH THE CORRESPONDING DIKETONE ESTER; CARRIED OUT UNDER REACTION CONDITIONS, PARTICULARLY WITH RESPECT TO PH, WHICH ARE INDUSTRIALLY MORE FAVORABLE. L'ORéAL S.A. (FR) 2001-12-25 US disclosed
EP-1095937-A1 Process for the preparation of trisubstituted oxazoles L'OREAL (FR) 2001-05-02 EP disclosed
WO-1998017281-A1 MONOPHOSPHATE PRODRUGS OF β-L-FD4C AND β-L-FddC AS POTENT ANTIVIRAL AGENTS VION PHARMACEUTICALS, INC. (US) 1998-04-30 WO disclosed
US-5405860-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
EP-0379081-A2 Process for the preparation of 1-hydroxymethyl oxiranes Z-substituted in position 2 BASF Aktiengesellschaft (DE) 1990-07-25 EP disclosed
US-4912122-A Triazolyl alkanones or triazolyl-alkanols BAYER AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed
US-4776877-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US disclosed
US-4772623-A FUNGICIDES, MICROBIOCIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
US-4582843-A FUNGICIDES, MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-04-15 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 (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-20220041588-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ABL1, ERBB2 LMNA 3579/4885MAPK1 109/4885CES2 4368/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 LMNA 1898/4885MAPK1 3176/4885CES2 13/4885

“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.