SCHEMBL266808

SCHEMBL266808

COc1ccc2oc(C)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.58
CA2 P00918 3/20 0.56
APP P05067 5/20 0.54
MAOB P27338 3/20 0.54
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA9 Q16790 2/20 0.53
CA3 P07451 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL719714 0.84 ALDH1A1 (0.59) CYP2A6CA2APPMAOBKDM4E
SCHEMBL15241822 0.82 DYRK1A (0.50) CYP2A6CA2APPMAOBPDE3B
SCHEMBL13799428 0.79 ALDH1A1 (0.50) MAOBKDM4EALDH1A1HPGDCA12
SCHEMBL18936056 0.78 CYP2A6 (0.56) CYP2A6CA2APPMAOBPDE3B
SCHEMBL14838384 0.78 CYP2A6 (0.56) CYP2A6CA2APPMAOBPDE3B
SCHEMBL28872981 0.78 CYP2A6 (0.56) CYP2A6CA2APPMAOBPDE3B
SCHEMBL7939527 0.78 CYP2A6 (0.56) CYP2A6CA2APPMAOBPDE3B
SCHEMBL28019029 0.78 CYP2A6 (0.56) CYP2A6CA2APPMAOBPDE3B
SCHEMBL14642175 0.78 DYRK1A (0.42) CYP2A6CA2MAOBPDE3BPDE3A
SCHEMBL13471706 0.78 PIM1 (0.59) MAOBKDM4ECA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
EP-3848363-B1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC (CN) 2023-07-19 EP disclosed
US-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-11318133-B2 Modulators of integrated stress response pathway Praxis Biotech LLC (US) 2022-05-03 US disclosed
US-11319330-B2 Tricyclic furan-substituted piperidinedione compound MEDSHINE DISCOVERY INC. (CN) 2022-05-03 US disclosed
US-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 US disclosed
US-20210317138-A1 TRICYCLIC FURAN-SUBSTITUTED PIPERIDINEDIONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2021-10-14 US disclosed
US-20200390759-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-12-17 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 US disclosed
US-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 US disclosed
EP-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 EP 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 (10 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 CYP2A6 4059/4885CA2 309/4885APP 2641/4885
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB CYP2A6 199/4885CA2 1661/4885APP 2239/4885
US-11319330-B2 Tricyclic furan-substituted piperidinedione compound CRBN, PFDN1, CLNS1A CYP2A6 4351/4885CA2 3312/4885APP 729/4885
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 CYP2A6 4003/4885CA2 4269/4885APP 4794/4885
US-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 CYP2A6 4003/4885CA2 4269/4885APP 4794/4885
US-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient DDT, AOC1, QDPR CYP2A6 169/4885CA2 1140/4885APP 2606/4885
US-20210317138-A1 TRICYCLIC FURAN-SUBSTITUTED PIPERIDINEDIONE COMPOUND CRBN, PFDN1, CLNS1A CYP2A6 4351/4885CA2 3312/4885APP 729/4885
US-20200390759-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, ATF1, DDIT3 CYP2A6 4132/4885CA2 4224/4885APP 4813/4885
US-11318133-B2 Modulators of integrated stress response pathway ATF4, ATF1, DDIT3 CYP2A6 4132/4885CA2 4224/4885APP 4813/4885
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS YEATS2, YEATS4, KNTC1 CYP2A6 4559/4885CA2 3497/4885APP 4791/4885

“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.