SCHEMBL806505

SCHEMBL806505

COc1cc(C)cc2ccoc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
CYP3A4 P08684 5/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
ACHE P22303 3/20 0.43
MAOA P21397 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
PDE4A P27815 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 2/20 0.42
CYP2A6 P11509 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A13 Q16696 1/20 0.42
HTR6 P50406 1/20 0.40
SLC22A12 Q96S37 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
SCHEMBL7483940 0.81 KDM4E (0.47) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL119906 0.81 CYP3A4 (0.47) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL7348302 0.79 MAOB (0.49) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL16234789 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL29778008 0.77 KDM4E (0.47) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL5686671 0.77 CYP3A4 (0.44) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL5150437 0.76 MAOB (0.49) ALDH1A1SMN1; SMN2LMNASLC22A12MAOB
SCHEMBL2056246 0.75 CYP1A2 (0.40) KDM4ECYP3A4SMN1; SMN2HSD17B10ACHE
SCHEMBL23924907 0.75 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4HPGDSMN1; SMN2
SCHEMBL20064602 0.75 PDE4A (0.51) PDE4AHTR6MAOB

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 12 patents. 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
EP-4257196-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS The University of Hong Kong (HK) 2023-10-11 EP disclosed
CN-109328187-B Novel compound with FGFR (FGFR) inhibitory activity as well as preparation and application thereof 中国科学院上海药物研究所 2022-04-26 CN disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3486244-A1 NEW COMPOUND HAVING FGFR INHIBITORY ACTIVITY AND PREPARATION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-05-22 EP disclosed
EP-3486244-A1 NEW COMPOUND HAVING FGFR INHIBITORY ACTIVITY AND PREPARATION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-05-22 EP disclosed
WO-2017215485-A1 NEW COMPOUND HAVING FGFR INHIBITORY ACTIVITY AND PREPARATION AND APPLICATION THEREOF 中国科学院上海药物研究所 2017-12-21 WO disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 WO 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C ALDH1A1 1739/4885KDM4E 3044/4885CYP3A4 1384/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH ALDH1A1 2027/4885KDM4E 4021/4885CYP3A4 1361/4885
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS YEATS2, YEATS4, KNTC1 ALDH1A1 3939/4885KDM4E 351/4885CYP3A4 4771/4885

“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.