SCHEMBL9978409

SCHEMBL9978409

CCCCCC(=O)CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
AKR1B1 P15121 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
GPR84 Q9NQS5 6/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL28042801 0.92 KMT2A (0.45) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL2990381 0.88 NAAA (0.53) KMT2AMAPTCES2CES1HAO1
SCHEMBL11625205 0.88 NAAA (0.53) KMT2AMAPTCES2CES1HAO1
SCHEMBL19508699 0.88 NAAA (0.53) KMT2AMAPTCES2CES1HAO1
SCHEMBL9571976 0.86 MAPT (0.50) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL9571985 0.86 MAPT (0.42) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL9571982 0.86 MAPT (0.42) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL9571981 0.86 MAPT (0.50) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL11928089 0.85 GNAI3 (0.57) KMT2AMAPTCES2CES1TDP1
SCHEMBL13485707 0.85 CYP1A2 (0.45) KMT2AMAPTCES2CES1ALDH1A1

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
EP-2575451-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION Bayer Cropscience LP (US) 2013-04-10 EP claimed
CN-103025157-A Compounds, methods, and devices for detecting and/or treating insect infestation BAYER CROPSCIENCE LP 2013-04-03 CN claimed
WO-2011149901-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION BAYER CROPSCIENCE LP (US) 2011-12-01 WO claimed
EP-3283489-B1 EPOXYAZULENE DERIVATIVES USEFUL FOR TREATING CANCER US HEALTH (US) 2019-08-21 EP disclosed
US-10287297-B2 Epoxyazulene derivatives useful for treating cancer and diabetes THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-05-14 US disclosed
US-20180127433-A1 EPOXYAZULENE DERIVATIVES USEFUL FOR TREATING CANCER AND DIABETES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2018-05-10 US disclosed
EP-3283489-A1 EPOXYAZULENE DERIVATIVES USEFUL FOR TREATING CANCER AND DIABETES The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2018-02-21 EP disclosed
WO-2016168281-A1 EPOXYAZULENE DERIVATIVES USEFUL FOR TREATING CANCER AND DIABETES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-20 WO disclosed
EP-2575443-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF Bayer Cropscience LP (US) 2013-04-10 EP disclosed
EP-2575451-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION Bayer Cropscience LP (US) 2013-04-10 EP disclosed
CN-103025157-A Compounds, methods, and devices for detecting and/or treating insect infestation BAYER CROPSCIENCE LP 2013-04-03 CN disclosed
US-20110293553-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-12-01 US disclosed
WO-2011149899-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF BAYER CROPSCIENCE LP (US) 2011-12-01 WO disclosed
WO-2011149901-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION BAYER CROPSCIENCE LP (US) 2011-12-01 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 (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-20110293553-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF L3MBTL3, ATG13, ARRB1 KMT2A 3986/4885MAPT 867/4885CES2 1736/4885
US-10287297-B2 Epoxyazulene derivatives useful for treating cancer and diabetes ESRRA, ESRRB, ESRRG KMT2A 4077/4885MAPT 4877/4885CES2 1171/4885
US-20180127433-A1 EPOXYAZULENE DERIVATIVES USEFUL FOR TREATING CANCER AND DIABETES ESRRA, ESRRB, ESRRG KMT2A 4077/4885MAPT 4877/4885CES2 1171/4885

“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.