SCHEMBL3018752

SCHEMBL3018752

COC(=O)CCc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.70
MTNR1B P49286 7/20 0.69
KMT2A Q03164 3/20 0.69
CYP2D6 P10635 2/20 0.69
KDM4E B2RXH2 2/20 0.69
CYP1A2 P05177 2/20 0.69
HTR1A P08908 2/20 0.69
BLM P54132 2/20 0.69
PMP22 Q01453 2/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP1A1 P04798 1/20 0.69
MPO P05164 1/20 0.69
CYP3A4 P08684 1/20 0.69
HPGD P15428 1/20 0.69
NQO2 P16083 1/20 0.69
HTR2B P41595 1/20 0.69
RAB9A P51151 1/20 0.69
CYP1B1 Q16678 1/20 0.69
NOTUM Q6P988 1/20 0.69

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
SCHEMBL4619391 0.88 CYP2D6 (0.64) MTNR1AMTNR1BKMT2ACYP2D6KDM4E
SCHEMBL4889276 0.88 MTNR1A (0.70) MTNR1AMTNR1BKMT2ACYP2D6KDM4E
SCHEMBL3024961 0.88 KDM4E (0.75) MTNR1AMTNR1BKMT2ACYP2D6KDM4E
SCHEMBL2686551 0.86 KDM4E (0.77) MTNR1AMTNR1BKMT2ACYP2D6KDM4E
SCHEMBL10670286 0.86 MTNR1A (0.71) MTNR1AMTNR1BKMT2ACYP2D6KDM4E
SCHEMBL852680 0.85 NPSR1 (0.64) KMT2ACYP2D6KDM4ECYP1A2HTR1A
SCHEMBL853698 0.84 HTR1A (0.62) MTNR1AMTNR1BKMT2ACYP2D6KDM4E
SCHEMBL3030323 0.84 MTNR1A (0.64) MTNR1AMTNR1BKMT2ACYP2D6KDM4E
SCHEMBL351449 0.84 MPO (0.69) MTNR1AMTNR1BKMT2AHTR1AMPO
SCHEMBL351519 0.84 MTNR1A (0.64) MTNR1AMTNR1BKMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 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
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 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 (4 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 MTNR1A 488/4885MTNR1B 384/4885KMT2A 3773/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885KMT2A 3773/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885KMT2A 3773/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MTNR1A 488/4885MTNR1B 384/4885KMT2A 3773/4885

“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.