SCHEMBL340356

SCHEMBL340356

CC(=O)c1cccc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MTNR1A P48039 2/20 0.43
MAOB P27338 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MGAM O43451 1/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MT-CO2 P00403 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
SCHEMBL23079145 0.85 GSK3B (0.42) KDM4EALDH1A1MAOBGSK3BKDM4C
SCHEMBL637323 0.85 CTNNB1 (0.55) KDM4EALDH1A1MTNR1ASMN1; SMN2CTNNB1
SCHEMBL6206600 0.85 ABCG2 (0.44) KDM4EALDH1A1MTNR1AMAOBGSK3B
SCHEMBL29442138 0.83 KDM4C (0.52) KDM4EALDH1A1MAOBGSK3BKDM4C
SCHEMBL340702 0.83 KDM4C (0.52) KDM4EALDH1A1MAOBGSK3BKDM4C
Hydrochloric Acid SCHEMBL9236405 0.81 KDM4C (0.51) KDM4EALDH1A1MAOBGSK3BKDM4C
SCHEMBL29625406 0.81 PARP1 (0.54) KDM4EALDH1A1NPC1RAB9A
SCHEMBL341608 0.81 GSK3B (0.42) KDM4EALDH1A1MAOBGSK3BKDM4C
SCHEMBL1720148 0.81 PARP1 (0.54) KDM4EALDH1A1NPC1RAB9A
SCHEMBL31143689 0.81 ABCG2 (0.41) KDM4EALDH1A1MTNR1AMAOBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
WO-2014084223-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 (JP) 2014-06-05 WO disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed
WO-2004058733-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed
WO-2003072561-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-09-04 WO disclosed
WO-2003072566-A1 FUSED TRICYCLIC HETEROCYCLES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-09-04 WO disclosed
EP-0138490-B1 4-alkyl methylenedioxy-2-1[H]-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-04-27 EP disclosed
US-4617392-A 4-alkyl-5,6-methylenedioxy-2-1[H]-quinazolinones useful as cardiotonic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1986-10-14 US disclosed
US-4617392-A 4-alkyl-5,6-methylenedioxy-2-1[H]-quinazolinones useful as cardiotonic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1986-10-14 US disclosed
EP-0138490-A1 4-alkyl methylenedioxy-2-1[H]-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 EP disclosed
EP-0138490-A1 4-alkyl methylenedioxy-2-1[H]-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 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 (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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 KDM4E 1284/4885ALDH1A1 3246/4885MTNR1A 3738/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R KDM4E 3530/4885ALDH1A1 2975/4885MTNR1A 76/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 KDM4E 2748/4885ALDH1A1 3212/4885MTNR1A 2367/4885

“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.