SCHEMBL3794299

SCHEMBL3794299

CCCc1ccc2ccoc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
HTR1B P28222 9/20 0.55
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38

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
Boric Acid SCHEMBL29148170 0.93 CHRM2 (0.51) CHRM2CHRM1CHRM3HTR1BCNR1
SCHEMBL3797578 0.89 CHRM2 (0.58) CHRM2CHRM1CHRM3HTR1BCA1
SCHEMBL3792011 0.85 HTR1B (0.55) CHRM2CHRM1CHRM3HTR1BCNR1
SCHEMBL3800036 0.84 HTR1B (0.58) CHRM2CHRM1CHRM3HTR1BKDM4E
SCHEMBL10245596 0.81 HTR1B (0.59) CHRM2CHRM1CHRM3HTR1BKDM4E
SCHEMBL14756115 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3HTR1BKDM4E
SCHEMBL31061981 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3HTR1BKDM4E
SCHEMBL13230585 0.80 HTR1B (0.58) CHRM2CHRM1CHRM3HTR1BKDM4E
SCHEMBL11985011 0.80 CHRM2 (0.49) CHRM2CHRM1CHRM3HTR1BKDM4E
SCHEMBL2095530 0.79 HTR1B (0.53) CHRM2CHRM1CHRM3HTR1BKDM4E

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-113354607-B Negative liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2023-12-05 CN disclosed
WO-2023107653-A2 BENZOFURAN SALT MORPHIC FORMS AND MIXTURES FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed
CN-113354607-A Negative liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display 石家庄诚志永华显示材料有限公司 2021-09-07 CN disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 US disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CHRM2 4875/4885CHRM1 4854/4885CHRM3 4792/4885
US-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CHRM2 4875/4885CHRM1 4854/4885CHRM3 4792/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 CHRM2 640/4885CHRM1 714/4885CHRM3 338/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CHRM2 4875/4885CHRM1 4854/4885CHRM3 4792/4885
US-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P CHRM2 4883/4885CHRM1 4884/4885CHRM3 4880/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 CHRM2 4527/4885CHRM1 4238/4885CHRM3 4665/4885

“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.