SCHEMBL172397

SCHEMBL172397

Cc1ccc2occc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
CYP2A6 P11509 5/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 2/20 0.48
DYRK1A Q13627 4/20 0.47
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CDK9 P50750 1/20 0.46
MAOB P27338 1/20 0.46
HTR1B P28222 5/20 0.44
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30455978 1.00 CTNNB1 (0.54) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
Benzene SCHEMBL28069373 0.96 MAOB (0.52) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
Oxirane SCHEMBL826781 0.92 CTNNB1 (0.49) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
SCHEMBL15504108 0.83 DYRK1A (0.65) CTNNB1WNT3ADYRK1ACA12CA2
SCHEMBL172445 0.81 CYP2A6 (0.48) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
SCHEMBL13305088 0.80 CTNNB1 (0.40) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2
Ethoxycarbonyl Group SCHEMBL28120407 0.80 CTNNB1 (0.47) CTNNB1WNT3ACYP2A6ALDH1A1DYRK1A
SCHEMBL1602149 0.78 HTR1B (0.55) CTNNB1WNT3ACYP2A6DYRK1ACA12
SCHEMBL4851681 0.78 CTNNB1 (0.49) CTNNB1WNT3ACYP2A6DYRK1ACA12
SCHEMBL827503 0.76 CYP2A6 (0.42) CTNNB1WNT3ACYP2A6ALDH1A1CYP1A2

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 1156 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
EP-3082884-B1 AIR CARE AND CLEANING PRODUCTS CONTAINING CNGA2 ANTAGONISTS HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
EP-3083910-B1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT HENKEL AG & CO KGAA (DE) 2017-09-06 EP claimed
EP-3082884-A1 AIR CARE AND CLEANING PRODUCTS CONTAINING CNGA2 ANTAGONISTS Henkel AG & Co. KGaA (DE) 2016-10-26 EP claimed
EP-3083910-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT Henkel AG & Co. KGaA (DE) 2016-10-26 EP claimed
US-20160289594-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT HENKEL AG & CO. KGAA (DE) 2016-10-06 US claimed
WO-2015091055-A1 AIR CARE AND CLEANING PRODUCTS CONTAINING CNGA2 ANTAGONISTS HENKEL AG & CO. KGAA (DE) 2015-06-25 WO 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 (4 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-20160289594-A1 USE OF CNGA2 AGONISTS FOR ENHANCING THE OLFACTORY EFFECT OF AN ODORANT CNR2, OR51E2, CHRNA2 CTNNB1 2683/4885WNT3A 2136/4885CYP2A6 2607/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 CTNNB1 1618/4885WNT3A 1674/4885CYP2A6 3337/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR CTNNB1 4213/4885WNT3A 2648/4885CYP2A6 3896/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR CTNNB1 4535/4885WNT3A 3341/4885CYP2A6 3727/4885

“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.