SCHEMBL7778173

SCHEMBL7778173

CC(C)(C)NC1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 8/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA1 P00915 2/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL272103 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL7775102 1.00 ALDH1A1 (0.45) ALDH1A1HSD17B10EPHX1PDK1PDK2
Water SCHEMBL5430832 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Bromide SCHEMBL28089455 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Hydrochloric Acid SCHEMBL1241011 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17821887 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
Iodide SCHEMBL28089655 0.97 ALDH1A1 (0.43) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL7778181 0.97 ALDH1A1 (0.40) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17046069 0.95 ALDH1A1 (0.41) ALDH1A1HSD17B10EPHX1PDK1PDK2
SCHEMBL17821983 0.95 ALDH1A1 (0.41) ALDH1A1HSD17B10EPHX1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2021-03-11 US disclosed
US-10669253-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-02 US disclosed
US-10654802-B2 Indoline derivatives and method for using and producing the same ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNVERSIT (US) 2020-05-19 US disclosed
US-20190135746-A1 INDOLINE DERIVATIVES AND METHOD FOR USING AND PRODUCING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNVERSITY OF ARIZONA 2019-05-09 US disclosed
US-20190071415-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-07 US disclosed
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-19 US disclosed
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20180009779-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-11 US disclosed
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2017-11-09 US disclosed
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP 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 (12 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-20190071415-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP ALDH1A1 3779/4885HSD17B10 3793/4885EPHX1 4002/4885
US-20180009779-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP ALDH1A1 3779/4885HSD17B10 3793/4885EPHX1 4002/4885
US-10654802-B2 Indoline derivatives and method for using and producing the same IDO1, IDO2, MMP1 ALDH1A1 161/4885HSD17B10 636/4885EPHX1 1760/4885
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 ALDH1A1 2128/4885HSD17B10 2623/4885EPHX1 4513/4885
US-20190135746-A1 INDOLINE DERIVATIVES AND METHOD FOR USING AND PRODUCING THE SAME IDO1, INMT, MMP1 ALDH1A1 295/4885HSD17B10 612/4885EPHX1 1817/4885
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 ALDH1A1 2034/4885HSD17B10 791/4885EPHX1 2472/4885
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase CCR8, CDK8, CHD8 ALDH1A1 2902/4885HSD17B10 1191/4885EPHX1 2819/4885
US-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 ALDH1A1 2034/4885HSD17B10 791/4885EPHX1 2472/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 ALDH1A1 1683/4885HSD17B10 2817/4885EPHX1 1085/4885
US-10669253-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, SMARCE1, MDM2 ALDH1A1 4040/4885HSD17B10 3898/4885EPHX1 3195/4885
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP ALDH1A1 3779/4885HSD17B10 3793/4885EPHX1 4002/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 ALDH1A1 1926/4885HSD17B10 2771/4885EPHX1 1101/4885

“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.