SCHEMBL3024972

SCHEMBL3024972

CCc1ccc2[nH]cc(CCC(=O)O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.66
CYP2C19 P33261 1/20 0.66
HTR1D P28221 4/20 0.65
HTR1B P28222 4/20 0.65
HTR1A P08908 4/20 0.65
GABRA1 P14867 2/20 0.51
GABRB2 P47870 2/20 0.51
MPO P05164 1/20 0.50
KMT2A Q03164 1/20 0.48
HTR7 P34969 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GLA P06280 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8695759 0.90 HPGD (0.64) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL16791392 0.87 HPGD (0.68) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL6131655 0.85 TSHR (0.66) HPGDHTR1DHTR1BHTR1AGABRA1
SCHEMBL12013054 0.83 HTR1D (0.73) HTR1DHTR1BHTR1AGABRA1GABRB2
SCHEMBL3052924 0.82 HPGD (0.69) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL31036156 0.82 HPGD (0.69) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL13274051 0.82 HTR1D (0.77) HTR1DHTR1BHTR1AGABRA1GABRB2
SCHEMBL9805227 0.81 HTR1D (0.67) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL1723364 0.81 NPSR1 (0.72) HPGDCYP2C19HTR1DHTR1BHTR1A
SCHEMBL3037728 0.80 HTR1D (0.57) HTR1DHTR1BHTR1AGABRA1GABRB2

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 38 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
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
CN-102875441-A Plexxikon inc PLEXXIKON INC 2013-01-16 CN 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-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 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
CN-1845898-A PPAR active compounds PLEXXIKON INC (US) 2006-10-11 CN 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

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 HPGD 949/4885CYP2C19 1356/4885HTR1D 1928/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA HPGD 949/4885CYP2C19 1356/4885HTR1D 1928/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HPGD 949/4885CYP2C19 1356/4885HTR1D 1928/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HPGD 949/4885CYP2C19 1356/4885HTR1D 1928/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HPGD 949/4885CYP2C19 1356/4885HTR1D 1928/4885

“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.