SCHEMBL12565602

SCHEMBL12565602

COc1ccc(C(C)=O)c2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
ADRA1A P35348 2/20 0.47
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 2/20 0.40
NOTUM Q6P988 1/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL3427457 0.96 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL9720580 0.83 HMGCR (0.47) ALDH1A1KDM4EHSD17B10GAAADRA1A
SCHEMBL3424668 0.82 MAPT (0.50) ALDH1A1KDM4EMAPTGAAADRA1A
SCHEMBL12567492 0.81 ADRA1A (0.41) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL833885 0.80 ADRA1A (0.59) ALDH1A1KDM4EMAPTGAAADRA1A
SCHEMBL16335823 0.80 SLC6A3 (0.47) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL15761230 0.79 ADRA1A (0.41) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL9576976 0.79 HMGCR (0.47) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL8295144 0.79 ADRA1A (0.45) ALDH1A1LMNAKDM4EHSD17B10GAA
SCHEMBL17133945 0.79 ADRA1A (0.41) ALDH1A1LMNAKDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP 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
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
WO-2016141890-A1 COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-15 WO 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
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
EP-2927218-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-07 EP disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885LMNA 701/4885KDM4E 4418/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 ALDH1A1 1679/4885LMNA 2659/4885KDM4E 450/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 ALDH1A1 3212/4885LMNA 2902/4885KDM4E 2748/4885

“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.