SCHEMBL809325

SCHEMBL809325

N#CC(C#N)=C1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
EGFR P00533 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NOS3 P29474 1/20 0.37
DRD4 P21917 1/20 0.37
CES1 P23141 1/20 0.36
NOTUM Q6P988 1/20 0.36
MIF P14174 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BCHE P06276 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
SCHEMBL30067479 1.00 CYP2A6 (0.46) CYP2A6MAOAMAOBEGFRALDH1A1
SCHEMBL30067338 0.89 EGFR (0.55) CYP2A6MAOAMAOBEGFRALDH1A1
SCHEMBL255282 0.89 EGFR (0.55) CYP2A6MAOAMAOBEGFRALDH1A1
SCHEMBL810214 0.78 CYP2A6 (0.40) CYP2A6MAOAMAOBALDH1A1MAPT
SCHEMBL24483759 0.74 ALDH1A1 (0.48) EGFRALDH1A1L3MBTL1GAATSHR
SCHEMBL6286885 0.74 EGFR (0.53) MAOBEGFRALDH1A1MAPTHPGD
SCHEMBL3413669 0.73 EGFR (0.43) MAOAMAOBEGFRALDH1A1MAPT
SCHEMBL24483586 0.73 EGFR (0.44) EGFRALDH1A1MAPTHPGDL3MBTL1
SCHEMBL27918268 0.73 TSHR (0.63) CYP2A6MAOAMAOBALDH1A1MAPT
SCHEMBL30505637 0.72 CYP2A6 (0.68) CYP2A6MAOAMAOBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376041-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-11-14 US disclosed
US-12098115-B2 Methods and compositions for terpenoid synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-09-24 US disclosed
US-11952327-B2 Methods and compositions for terpenoid synthesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-04-09 US disclosed
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-02-27 US disclosed
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2024-01-25 US disclosed
WO-2022115439-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-02 WO disclosed
US-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-09-30 US disclosed
WO-2020236940-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-11-26 WO disclosed
WO-2020033567-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2020-02-13 WO disclosed
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS UNIV FLORIDA (US) 2019-09-05 US disclosed
EP-1776119-B9 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
EP-1776119-B9 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
EP-2460802-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME Nagoya Institute of Technology (JP) 2012-06-06 EP disclosed
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 US disclosed
EP-1776119-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-01-18 EP disclosed
EP-1776119-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-01-18 EP disclosed
US-7902224-B2 Tetrahydro-naphthalene derivatives as glucocorticoid receptor modulators GLAXO GROUP LIMITED (GB) 2011-03-08 US disclosed
US-7902224-B2 Tetrahydro-naphthalene derivatives as glucocorticoid receptor modulators GLAXO GROUP LIMITED (GB) 2011-03-08 US disclosed
US-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
US-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2007-09-27 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 (9 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-20210300928-A1 METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS AHR, HCCS, HMBS CYP2A6 33/4885MAOA 205/4885MAOB 135/4885
US-11952327-B2 Methods and compositions for terpenoid synthesis SQLE, GGPS1, LSS CYP2A6 82/4885MAOA 2530/4885MAOB 2829/4885
US-20240376041-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS CYP2A6 82/4885MAOA 2530/4885MAOB 2829/4885
US-11912704-B2 Methods and compositions for substituted arylcycloheptane analogs AHR, HCCS, HMBS CYP2A6 33/4885MAOA 205/4885MAOB 135/4885
US-20240025843-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS CYP2A6 82/4885MAOA 2530/4885MAOB 2829/4885
US-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators NR3C1, NR3C2, MC2R CYP2A6 297/4885MAOA 2610/4885MAOB 2881/4885
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 CYP2A6 516/4885MAOA 1877/4885MAOB 319/4885
US-12098115-B2 Methods and compositions for terpenoid synthesis SQLE, GGPS1, LSS CYP2A6 82/4885MAOA 2530/4885MAOB 2829/4885
US-20190270700-A1 METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS SQLE, GGPS1, LSS CYP2A6 71/4885MAOA 2457/4885MAOB 2710/4885

“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.