SCHEMBL8871485

SCHEMBL8871485

COc1ccc2occc(=O)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.75
ACHE P22303 1/20 0.64
MAOA P21397 10/20 0.58
MAOB P27338 10/20 0.58
SIGMAR1 Q99720 5/20 0.57
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL28532367 0.87 KDM4E (0.62) KDM4EACHEMAOAMAOBSIGMAR1
7-Methoxychromone SCHEMBL1854902 0.86 KDM4E (1.00) KDM4EMAOAMAOBNPC1ALDH1A1
7-Methoxychromone SCHEMBL31260290 0.86 KDM4E (1.00) KDM4EMAOAMAOBNPC1ALDH1A1
SCHEMBL15201132 0.82 ACHE (0.64) KDM4EACHEMAOAMAOBSIGMAR1
7-Methoxychromone SCHEMBL28430247 0.80 KDM4E (0.88) KDM4EMAOAMAOBNPC1ALDH1A1
SCHEMBL2976539 0.79 SIGMAR1 (0.73) ACHEMAOAMAOBSIGMAR1
SCHEMBL28739751 0.78 ACHE (0.59) ACHEMAOAMAOBSIGMAR1
7-Methoxychromone SCHEMBL28423141 0.78 KDM4E (0.82) KDM4EMAOAMAOBSIGMAR1ALDH1A1
SCHEMBL28124918 0.77 KDM4E (0.77) KDM4EMAOAMAOBNPC1ALDH1A1
SCHEMBL27767737 0.77 MAOB (0.68) ACHEMAOAMAOBSIGMAR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 US disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 US disclosed
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE GLOBAL LIMITED (BM) 2016-05-05 US disclosed
US-5607928-A Carbapenem derivatives containing a bicyclic ketone substituent and their use as anti-infectives ZENECA LIMITED (GB) 1997-03-04 US disclosed
EP-0695753-A1 Carbapenem derivatives containing a bicyclic substituent, process for their preparation, and their use ZENECA LIMITED (GB) 1996-02-07 EP disclosed
US-4777168-A ANTISECRETORY, ANTIULCER AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-10-11 US disclosed
US-4722925-A ANTIULCER AGENTS, GASTROINTESTINAL DISORDERS RORER PHARMACEUTICAL CORPORATION (US) 1988-02-02 US disclosed
EP-0198918-A4 BICYCLIC BENZO-OXY HETEROCYCLIC ETHERS AND THIOETHERS AS H 2?-RECEPTORS ANTAGONISTS. RORER INTERNAT OVERSEAS INC (US) 1987-08-10 EP disclosed
US-4668673-A ANTISECRETORY, ANTIULCER, ANTACIDS WILLIAM H. RORER, INC. (US) 1987-05-26 US disclosed
EP-0198918-A1 BICYCLIC BENZO-OXY HETEROCYCLIC ETHERS AND THIOETHERS AS H 2?-RECEPTORS ANTAGONISTS RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1986-10-29 EP disclosed
US-4612309-A Antisecretory bicyclic benzo-oxy heterocyclic ethers and thioethers WILLIAM H. RORER, INC. (US) 1986-09-16 US disclosed
WO-1986002550-A1 BICYCLIC BENZO-OXY HETEROCYCLIC ETHERS AND THIOETHERS AS H2-RECEPTORS ANTAGONISTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-05-09 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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 KDM4E 4039/4885ACHE 713/4885MAOA 3482/4885
US-20160120841-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 KDM4E 4039/4885ACHE 713/4885MAOA 3482/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 KDM4E 4039/4885ACHE 713/4885MAOA 3482/4885

“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.