SCHEMBL3033737

SCHEMBL3033737

COc1cc2[nH]cc(C=O)c2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
HASPIN Q8TF76 1/20 0.44
CYP2A6 P11509 2/20 0.44
IMPDH2 P12268 1/20 0.41
TDO2 P48775 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
ERN1 O75460 3/20 0.38
DYRK1A Q13627 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
SCHEMBL3033381 0.88 ALDH1A1 (0.55) MAPTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL29955375 0.79 CYP2A6 (0.56) MAPTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL29952670 0.79 CCNT1 (0.48) MAPTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL16597854 0.79 CYP2A6 (0.56) MAPTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL29950684 0.77 CCNT1 (0.49) MAPTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL24208557 0.76 TDO2 (0.43) MAPTTDO2MTNR1AMTNR1BPRKAG1
SCHEMBL31438577 0.76 TDO2 (0.43) MAPTCCNT1CDK9HASPINTDO2
SCHEMBL23726991 0.76 CCNT1 (0.48) MAPTALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL25201342 0.76 TDO2 (0.43) MAPTCCNT1CDK9HASPINTDO2
SCHEMBL29952935 0.76 CCNT1 (0.48) MAPTALDH1A1KDM4ECYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 US disclosed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 EP disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 US disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 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 (5 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-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA MAPT 4598/4885ALDH1A1 1171/4885KDM4E 2954/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA MAPT 4598/4885ALDH1A1 1171/4885KDM4E 2954/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MAPT 4598/4885ALDH1A1 1171/4885KDM4E 2954/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MAPT 4598/4885ALDH1A1 1171/4885KDM4E 2954/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MAPT 4598/4885ALDH1A1 1171/4885KDM4E 2954/4885

“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.