SCHEMBL707464

SCHEMBL707464

CC1=C(CCl)C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
APAF1 O14727 1/20 0.54
MITF O75030 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
CDC25B P30305 6/20 0.50
CDC25A P30304 4/20 0.50
TBXAS1 P24557 1/20 0.50
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
S100A4 P26447 5/20 0.48
MAP2K7 O14733 2/20 0.48

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
SCHEMBL14459554 0.85 MAPT (0.41) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL3271510 0.84 CDC25B (0.55) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL5820368 0.83 MAPT (0.58) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL5810540 0.83 TBXAS1 (0.62) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571496 0.81 MAPT (0.56) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL10446741 0.79 MAPT (0.59) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL3271230 0.79 AURKA (0.55) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL13649286 0.79 MAPT (0.54) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571005 0.78 MAPT (0.53) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL29941466 0.77 CDC25B (0.68) MAPTKDM4EALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107226789-A Dithiocarbamates compound, its preparation method and the purposes in antineoplastic is prepared 北京大学 2017-10-03 CN claimed
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-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
CN-107226789-B Dithiocarbamates compound, preparation method and purposes in the preparation of antitumor drugs 北京大学 2019-11-08 CN disclosed
CN-107226789-A Dithiocarbamates compound, its preparation method and the purposes in antineoplastic is prepared 北京大学 2017-10-03 CN disclosed
WO-2013036766-A1 SMALL MOLECULE NAPHTHOQUINONE- AND PHTHALIMIDE-BASED LIPOCATIONS AS ANTI-PARASITIC AGENTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-03-14 WO disclosed
US-8124793-B2 Derivatives of ethylene methanedisulfonate as cancer chemotherapeutic agents CRONYN MARSHALL W (US) 2012-02-28 US disclosed
US-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS CRONYN MARSHALL W 2009-07-09 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-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-06 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-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-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
WO-2007095630-A2 NEW UBIQUINONE ANALOGS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 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 (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-20210009494-A1 Menaquinol Compositions and Methods of Treatment SDHA, SDHB, NDUFB7 MAPT 3333/4885KDM4E 1697/4885ALDH1A1 762/4885
US-20070208086-A1 UBIQUINONE ANALOGS AND METHODS OF USE NDUFB7, NDUFB1, NDUFB3 MAPT 4254/4885KDM4E 2305/4885ALDH1A1 638/4885
US-20220348530-A1 Menaquinol Compositions and Methods of Treatment SDHA, SDHB, NDUFB7 MAPT 3333/4885KDM4E 1697/4885ALDH1A1 762/4885
US-11332427-B2 Menaquinol compositions and methods of treatment SDHA, SDHB, NDUFB7 MAPT 3333/4885KDM4E 1697/4885ALDH1A1 762/4885
US-10822295-B2 Menaquinol compositions and methods of treatment PROC, VKORC1L1, VKORC1 MAPT 2533/4885KDM4E 1672/4885ALDH1A1 1954/4885
US-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS MGMT, ETV6, EI24 MAPT 4552/4885KDM4E 1323/4885ALDH1A1 2643/4885
US-20070203080-A1 New Drug Delivery System for Crossing the Blood Brain Barrier NDUFB5, NDUFB7, NDUFB3 MAPT 1404/4885KDM4E 3016/4885ALDH1A1 991/4885

“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.