SCHEMBL317485

SCHEMBL317485

[CH2]c1ccc2occc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
DYRK1A Q13627 5/20 0.47
CDK9 P50750 1/20 0.46
HTR1B P28222 5/20 0.41
EPM2A O95278 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1307371 0.81 CYP2A6 (0.44) CYP2A6DYRK1ACDK9HTR1BKDM4E
SCHEMBL2149910 0.73 CYP2A6 (0.54) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL12319505 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL2008439 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL276359 0.71 CYP2A6 (0.55) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL320843 0.71 DYRK1A (0.55) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL7019161 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL6733 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL826762 0.71 CYP2A6 (0.50) CYP2A6DYRK1ACDK9HTR1BEPM2A
SCHEMBL172397 0.71 CTNNB1 (0.54) CYP2A6DYRK1ACDK9HTR1BCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116802179-A BCL-2 inhibitors 百济神州有限公司 2023-09-22 CN claimed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US claimed
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP claimed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO claimed
CN-106749135-B Substituted benzofuran formyl hydrazone analog derivative and preparation method thereof 浙江大学 2019-07-19 CN claimed
CN-106243126-B Substituted furans isoquinolines analog derivative and preparation method thereof 浙江大学 2018-09-18 CN claimed
CN-106749135-A Substituted benzofuran formyl hydrazone analog derivative and preparation method thereof 浙江大学 2017-05-31 CN claimed
CN-106336416-A Furan flavone derivative and preparation method thereof 浙江大学 2017-01-18 CN claimed
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US claimed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US claimed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN claimed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US claimed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 EP claimed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 CYP2A6 3337/4885DYRK1A 2763/4885CDK9 352/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR CYP2A6 3896/4885DYRK1A 3442/4885CDK9 2754/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR CYP2A6 3727/4885DYRK1A 2360/4885CDK9 3373/4885

“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.