SCHEMBL336534

SCHEMBL336534

CC(C)(C)OC(=O)COc1ccc(C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PTPN1 P18031 2/20 0.48
ALDH1A1 P00352 7/20 0.48
PTGS2 P35354 2/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP2A6 P11509 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL17094885 0.87 RAB9A (0.44) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL412718 0.86 MEN1 (0.50) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL558160 0.84 POLB (0.42) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL198467 0.83 PTPN1 (0.60) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL14652405 0.83 MAPT (0.53) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL2441347 0.83 PTPN1 (0.50) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL14571144 0.82 NPC1 (0.41) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL30313091 0.82 ALDH1A1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL528101 0.82 MAOA (0.49) NPC1RAB9APTPN1ALDH1A1PSEN1
SCHEMBL17652044 0.81 SMN1; SMN2 (0.64) KMT2AMEN1NPC1RAB9APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
CN-109388021-B Composition for forming organic film 信越化学工业株式会社 2022-09-27 CN disclosed
CN-109388027-B Substrate with resist multilayer film and pattern forming method 信越化学工业株式会社 2021-12-03 CN disclosed
US-11042090-B2 Composition for forming organic film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-22 US disclosed
US-20190041753-A1 RESIST MULTILAYER FILM-ATTACHED SUBSTRATE AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed
US-20190041753-A1 RESIST MULTILAYER FILM-ATTACHED SUBSTRATE AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed
US-20190041752-A1 COMPOSITION FOR FORMING ORGANIC FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed
US-20140106367-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2014-04-17 US disclosed
US-8530459-B2 Swallowtail motifs for imparting water solubility to porphyrinic compounds NORTH CAROLINA STATE UNIVERSITY (US) 2013-09-10 US disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
WO-2004060883-A1 PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR USE AS SELECTIVE MMP 13 INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed
CN-1479716-A Propionic acid derivatives with PPAR-alpha activating properties 2004-03-03 CN disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6603029-B1 Partially protected trisphenols in which only specifically selected one or two of the three hydroxyl groups are protected with a protecting agent and which are suitable for use as a dissolution inhibitor in chemically amplified photoresists HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2003-08-05 US disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
US-3968117-A CARDIOVASCULAR BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3959296-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 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 (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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 KMT2A 1954/4885MEN1 93/4885NPC1 284/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 KMT2A 1954/4885MEN1 93/4885NPC1 284/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD KMT2A 1996/4885MEN1 4822/4885NPC1 3730/4885

“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.