SCHEMBL3799097

SCHEMBL3799097

CCCc1ccc2ccsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
CASP3 P42574 4/20 0.34
SENP8 Q96LD8 4/20 0.34
SENP7 Q9BQF6 4/20 0.34
SENP6 Q9GZR1 4/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HRH1 P35367 1/20 0.34
ALOX5 P09917 1/20 0.33
KDM1A O60341 1/20 0.33
PLA2G1B P04054 1/20 0.33

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
SCHEMBL3790091 0.89 CASP3 (0.43) CYP2A6CASP3SENP8SENP7SENP6
SCHEMBL20126467 0.87 ESR1 (0.42) CYP2A6CASP3SENP8SENP7SENP6
SCHEMBL28195850 0.86 PTGS2 (0.44) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL28384923 0.86 PTGS2 (0.44) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL28382067 0.86 PTGS2 (0.44) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL3789042 0.85 CYP2A6 (0.61) CYP2A6CNR1CNR2OPRM1OPRK1
SCHEMBL154793 0.84 CYP2A6 (0.47) CYP2A6OPRM1OPRK1MRGPRX4SIGMAR1
SCHEMBL3810731 0.81 KDM4E (0.44) CYP2A6OPRM1OPRK1MRGPRX4SIGMAR1
SCHEMBL12569411 0.81 CYP2A6 (0.52) CYP2A6ADRA2A
SCHEMBL14756141 0.80 MAPT (0.47) CYP2A6SIGMAR1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020205467-A1 STAT3 PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-08 WO disclosed
EP-3305774-B1 BENZOTHIOPHENE-CONTAINING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2020-08-26 EP disclosed
US-10563126-B2 Liquid crystal compound having benzothiophene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-02-18 US disclosed
US-20180127652-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOTHIOPHENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127652-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOTHIOPHENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
EP-3305774-A1 BENZOTHIOPHENE-CONTAINING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-04-11 EP disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP 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 (1 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-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A CYP2A6 3422/4885CNR1 1910/4885CNR2 1547/4885

“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.