SCHEMBL12864

SCHEMBL12864

Cc1cccc(-c2ccoc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.46
KMT2A Q03164 5/20 0.45
HPGD P15428 4/20 0.45
MEN1 O00255 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
MAPT P10636 4/20 0.45
CYP2C19 P33261 4/20 0.45
ALDH1A1 P00352 4/20 0.45
USP2 O75604 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPK1 P28482 3/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP2C9 P11712 1/20 0.45
GALK1 P51570 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL7085852 0.82 ERN1 (0.40) KMT2AHPGDMEN1CYP1A2CYP3A4
SCHEMBL27680279 0.80 P2RY14 (0.42) KMT2AHPGDMEN1CYP1A2CYP3A4
SCHEMBL571400 0.79
SCHEMBL31471473 0.79 ACHE (0.69) ENPP3KMT2AHPGDMEN1ALDH1A1
SCHEMBL29373699 0.79 ACHE (0.69) ENPP3KMT2AHPGDMEN1ALDH1A1
SCHEMBL301247 0.79 ACHE (0.69) ENPP3KMT2AHPGDMEN1ALDH1A1
SCHEMBL19196316 0.78 RAB9A (0.45) ENPP3KMT2AHPGDMEN1CYP1A2
SCHEMBL28219578 0.77 LPL (0.44) NT5ECNR1ERN1HSD17B1HSD17B2
SCHEMBL19577801 0.77 ACHE (0.65) ENPP3KMT2AHPGDMEN1ALDH1A1
SCHEMBL18797759 0.77 ACHE (0.65) ENPP3KMT2AHPGDMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 US disclosed
US-20200190019-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-06-18 US disclosed
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-08-10 US disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-20160023991-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-01-28 US disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 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 (11 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 ENPP3 2392/4885KMT2A 1600/4885HPGD 253/4885
US-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ENPP3 581/4885KMT2A 4151/4885HPGD 514/4885
US-11420934-B2 PPAR agonists PPARG, PPARD, PPARA ENPP3 747/4885KMT2A 3527/4885HPGD 527/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 ENPP3 2494/4885KMT2A 1891/4885HPGD 954/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ENPP3 3157/4885KMT2A 1822/4885HPGD 954/4885
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 ENPP3 2686/4885KMT2A 2445/4885HPGD 1122/4885
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 ENPP3 3857/4885KMT2A 950/4885HPGD 1236/4885
US-20160023991-A1 PPAR AGONISTS PPARG, PPARD, PPARA ENPP3 747/4885KMT2A 3527/4885HPGD 527/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ENPP3 3157/4885KMT2A 1822/4885HPGD 954/4885
US-20200190019-A1 PPAR AGONISTS PPARG, PPARD, PPARA ENPP3 747/4885KMT2A 3527/4885HPGD 527/4885
US-20170226154-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA ENPP3 959/4885KMT2A 3095/4885HPGD 223/4885

“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.