SCHEMBL571496

SCHEMBL571496

CCC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
APAF1 O14727 1/20 0.56
MITF O75030 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDC25B P30305 6/20 0.55
CDC25A P30304 5/20 0.55
S100A4 P26447 4/20 0.55
MAP2K7 O14733 3/20 0.55
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
TBXAS1 P24557 1/20 0.51
PKM P14618 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL5820931 0.86 FGFR1 (0.57) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL30004167 0.86 FGFR1 (0.57) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL5820368 0.84 MAPT (0.58) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL5810540 0.84 TBXAS1 (0.62) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL571005 0.83 MAPT (0.53) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL12761938 0.81 TBXAS1 (0.59) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL13649286 0.81 MAPT (0.54) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL10446741 0.81 MAPT (0.59) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL3271230 0.81 AURKA (0.55) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL707464 0.81 MAPT (0.54) MAPTALDH1A1LMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022265178-A1 TRAP1 INHIBITOR AND USE THEREOF 주식회사 스마틴바이오 2022-12-22 WO disclosed
US-20220348530-A1 Menaquinol Compositions and Methods of Treatment Epizon Pharma, Inc. (US) 2022-11-03 US disclosed
US-11332427-B2 Menaquinol compositions and methods of treatment Epizon Pharma, Inc. (US) 2022-05-17 US disclosed
US-20210171489-A1 SYNTHESIS OF CHROMANOL AND 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES BASF SE (DE) 2021-06-10 US disclosed
US-20210009494-A1 Menaquinol Compositions and Methods of Treatment Epizon Pharma, Inc. (US) 2021-01-14 US disclosed
US-10822295-B2 Menaquinol compositions and methods of treatment Epizon Pharma, Inc. (US) 2020-11-03 US disclosed
WO-2015183985-A2 THERAPEUTIC COMPOSITIONS INCLUDING NAPHTHOQUINONES AND USES THEREOF STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2015-12-03 WO disclosed
WO-2014063923-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX S.A. (FR) 2014-05-01 WO disclosed
US-20130345312-A1 TREATMENT OF MITOCHONDRIAL DISEASES WITH NAPHTHOQUINONES BIOELECTRON TECHNOLOGY CORPORATION 2013-12-26 US disclosed
EP-2600857-A2 TREATMENT OF MITOCHONDRIAL DISEASES WITH NAPHTHOQUINONES Edison Pharmaceuticals, Inc. (US) 2013-06-12 EP disclosed
US-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS CRONYN MARSHALL W 2009-07-09 US disclosed
US-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS CRONYN MARSHALL W 2009-07-09 US disclosed
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-06 US disclosed
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-30 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
EP-0597890-B1 REMOVAL OF HYDROGEN SULPHIDE SOLVAY INTEROX LTD (GB) 1997-03-12 EP disclosed
US-5545391-A Removal of hydrogen sulphide SOLVAY INTEROX LIMITED (GB) 1996-08-13 US disclosed
EP-0597890-A1 REMOVAL OF HYDROGEN SULPHIDE. SOLVAY INTEROX LTD (GB) 1994-05-25 EP disclosed
WO-1993002961-A1 REMOVAL OF HYDROGEN SULPHIDE SOLVAY INTEROX LIMITED (GB) 1993-02-18 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 (11 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-20210009494-A1 Menaquinol Compositions and Methods of Treatment SDHA, SDHB, NDUFB7 MAPT 3333/4885ALDH1A1 762/4885LMNA 373/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAPT 1883/4885ALDH1A1 2811/4885LMNA 1374/4885
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE NDUFB7, NDUFB1, NDUFB3 MAPT 4254/4885ALDH1A1 638/4885LMNA 1593/4885
US-20220348530-A1 Menaquinol Compositions and Methods of Treatment SDHA, SDHB, NDUFB7 MAPT 3333/4885ALDH1A1 762/4885LMNA 373/4885
US-11332427-B2 Menaquinol compositions and methods of treatment SDHA, SDHB, NDUFB7 MAPT 3333/4885ALDH1A1 762/4885LMNA 373/4885
US-20130345312-A1 TREATMENT OF MITOCHONDRIAL DISEASES WITH NAPHTHOQUINONES NDUFAB1, NDUFA2, NDUFS6 MAPT 1223/4885ALDH1A1 714/4885LMNA 319/4885
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 MAPT 3931/4885ALDH1A1 530/4885LMNA 4176/4885
US-10822295-B2 Menaquinol compositions and methods of treatment PROC, VKORC1L1, VKORC1 MAPT 2533/4885ALDH1A1 1954/4885LMNA 285/4885
US-20210171489-A1 SYNTHESIS OF CHROMANOL AND 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES CYP4B1, CYP2J2, CYP1A2 MAPT 3703/4885ALDH1A1 772/4885LMNA 729/4885
US-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS MGMT, ETV6, EI24 MAPT 4552/4885ALDH1A1 2643/4885LMNA 4554/4885
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier NDUFB5, NDUFB7, NDUFB3 MAPT 1404/4885ALDH1A1 991/4885LMNA 2544/4885

“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.