SCHEMBL6502231

SCHEMBL6502231

CCOC(=O)c1cc(CO)nn1C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.37
P2RY12 Q9H244 1/20 0.37
FAAH O00519 4/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.35
ATR Q13535 1/20 0.34

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
SCHEMBL18587281 0.88 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1HSD17B10LMNA
SCHEMBL22826421 0.86 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1MAPK1HTT
SCHEMBL6501940 0.86 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1MAPK1HTT
SCHEMBL6502716 0.86 KMT2A (0.42) CYP4F2CYP4A11ALDH1A1MAPK1HTT
SCHEMBL20382691 0.81 SMYD3 (0.38) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL26638900 0.81 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1MAPK1HTT
SCHEMBL14637642 0.80 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1LMNAATR
SCHEMBL26639045 0.80 POLB (0.38) CYP4F2CYP4A11ALDH1A1MAPK1HTT
SCHEMBL20408354 0.79 KMT2A (0.40) CYP4F2CYP4A11ALDH1A1MAPK1HTT
SCHEMBL24977637 0.79 TDP1 (0.38) CYP4F2CYP4A11ALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114641481-B Macrocyclic inhibitors of MCL-1 詹森药业有限公司 2024-07-30 CN disclosed
EP-3986902-B1 MACROCYCLIC INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2024-01-24 EP disclosed
US-20230021562-A1 MACROCYLIC INDOLE DERIVATIVES MCL-1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-01-26 US disclosed
US-20220306653-A1 MACROCYCLIC INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2022-09-29 US disclosed
EP-4061819-A1 MACROCYCLIC INDOLE DERIVATIVES AS MCL-1 INHIBITORS Janssen Pharmaceutica NV (BE) 2022-09-28 EP disclosed
CN-114728985-A Macrocyclic indole derivatives as MCL-1 inhibitors 詹森药业有限公司 2022-07-08 CN disclosed
CN-114641481-A Macrocyclic inhibitors of MCL-1 詹森药业有限公司 2022-06-17 CN disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
US-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation GORDEEV MIKHAIL F (US) 2002-12-05 US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 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 (5 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-20230021562-A1 MACROCYLIC INDOLE DERIVATIVES MCL-1 INHIBITORS MCL1, BCL2L1, BAK1 CYP4F2 4722/4885CYP4A11 4575/4885ALDH1A1 930/4885
US-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PAICS, CDK4, OXA1L CYP4F2 3537/4885CYP4A11 3808/4885ALDH1A1 1371/4885
US-20220306653-A1 MACROCYCLIC INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 CYP4F2 4597/4885CYP4A11 4563/4885ALDH1A1 1306/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 CYP4F2 816/4885CYP4A11 880/4885ALDH1A1 741/4885
US-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP CYP4F2 4002/4885CYP4A11 4571/4885ALDH1A1 1632/4885

“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.