SCHEMBL805356

SCHEMBL805356

CCOc1ccc(C)cc1OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
L3MBTL1 Q9Y468 7/20 0.61
RAB9A P51151 2/20 0.61
ATM Q13315 1/20 0.61
HPGD P15428 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.50
ACHE P22303 1/20 0.50
GAA P10253 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL16502112 0.90 MAPT (0.61) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL7634998 0.89 ACHE (0.68) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL7903433 0.89 ACHE (0.68) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL2477340 0.86 MAPT (0.53) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL3069940 0.85 L3MBTL1 (0.65) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL20005765 0.85 MAOB (0.54) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL2611833 0.85 MAPT (0.75) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL13020111 0.84 MAPT (0.51) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL13019317 0.84 MAPT (0.47) MAPTL3MBTL1RAB9AATMHPGD
SCHEMBL144438 0.84 KDM4E (0.53) MAPTL3MBTL1RAB9AATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189614-A1 Substituted diamino-1,3,5-triazine derivatives JANSSEN PAUL A 2006-08-24 US claimed
US-20060049177-A1 Induction heating cooker LG ELECTRONICS INC. 2006-03-09 US claimed
EP-1214300-B1 RATE-CONTROLLED PARTICLES ABBOTT GMBH & CO KG (DE) 2003-09-03 EP claimed
EP-0834507-A1 Substituted diamino-1,3,5-triazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-08 EP claimed
US-4272634-A Process for the production of intermediate oxidation products of toluenes having ether linkages DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-06-09 US claimed
CN-112980307-A Wear-resistant gear shaft and production process thereof 台州格凌机械股份有限公司 2021-06-18 CN disclosed
US-20200216721-A1 ADHESIVE SHEET HAVING EXCELLENT ULTRAVIOLET BLOCKING FUNCTION, ADHESIVE COMPOSITION, AND DISPLAY DEVICE COMPRISING SAME LMS CO., LTD. (KR) 2020-07-09 US disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
EP-0834507-A1 Substituted diamino-1,3,5-triazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-08 EP disclosed
US-4272634-A Process for the production of intermediate oxidation products of toluenes having ether linkages DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-06-09 US disclosed
US-4255574-A REACTING B-ALKOXY-PROPIONITRILE WITH AN ALKALI METAL ALCOHOLATE AND CONDENSING THE REACTION PRODUCT WITH GUANIDINE HOFFMANN-LA ROCHE INC. (US) 1981-03-10 US disclosed
US-4220605-A LIQUID PHASE USING A SOLVENT OF LOW LOWER CARBOXYLIC ACID OR ANHYDRIDE, A SOLUBLE COBALT SALT AND BROMINE OR A BROMINE COMPOUND DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1980-09-02 US disclosed
US-4143227-A FROM THE 2,4-DIAMINO-5-OXY OR HALOMETHYL-PYRIMIDINE AND A 1,2-DIALKOXY OR METHYLENEDIOXY-BENZENE IN AN ACID HOFFMANN-LA ROCHE INC. (US) 1979-03-06 US disclosed
US-4029699-A CHOLERETIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-06-14 US disclosed
US-4017517-A SPASMOLYTIC, CHOLERETIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-04-12 US disclosed
US-3943169-A DIURETIC, SPASMOLYTIC TAKEDA CHEMICAL INDUSTRIES, LTD (JA) 1976-03-09 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 (6 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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 MAPT 3708/4885L3MBTL1 4157/4885RAB9A 1021/4885
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 MAPT 3938/4885L3MBTL1 805/4885RAB9A 3454/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 MAPT 3781/4885L3MBTL1 67/4885RAB9A 2618/4885
US-20060189614-A1 Substituted diamino-1,3,5-triazine derivatives C5, ADORA1, C1S MAPT 3917/4885L3MBTL1 1324/4885RAB9A 626/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MAPT 3938/4885L3MBTL1 805/4885RAB9A 3454/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 MAPT 3262/4885L3MBTL1 2029/4885RAB9A 4104/4885

“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.