SCHEMBL3035285

SCHEMBL3035285

CCc1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HTR2C P28335 5/20 0.33
HTR2A P28223 4/20 0.33
HTR6 P50406 2/20 0.32

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
SCHEMBL30711626 0.86 HTR2C (0.35) CYP2A6HTR2CHTR2AHTR6
SCHEMBL5154395 0.83 KDM4E (0.35) MAPTALDH1A1HDAC8HTR2CHTR2A
SCHEMBL13837234 0.81 PARP1 (0.32) HTR2CHTR2A
SCHEMBL28979 0.78 HTR2A (0.49) CYP1A2CYP2A6MAPTALDH1A1HTR2C
SCHEMBL2502244 0.77 KDM4E (0.36) CYP1A2MAPTALDH1A1HTR2CHTR2A
SCHEMBL2073701 0.77 PRKCI (0.53) MAPTALDH1A1LMNAHTR2CHTR2A
SCHEMBL850727 0.77 HTR2C (0.50) MAPTALDH1A1HPGDHTR2CHTR2A
SCHEMBL3327014 0.77 MAPT (0.33) MAPTHTR2CHTR2A
SCHEMBL413823 0.77 HTR2A (0.50) CYP2A6HTR2CHTR2AHTR6HTR7
SCHEMBL861052 0.77 OXER1 (0.41) CYP1A2MAPTLMNAHPGDHDAC8

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 27 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-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-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 US disclosed
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2008-02-21 US disclosed
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2008-02-21 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-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
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 (6 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 AKR1C3 3189/4885AKR1C2 2442/4885CYP1A2 1147/4885
US-20080045581-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA AKR1C3 3189/4885AKR1C2 2442/4885CYP1A2 1147/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA AKR1C3 3189/4885AKR1C2 2442/4885CYP1A2 1147/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA AKR1C3 3189/4885AKR1C2 2442/4885CYP1A2 1147/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA AKR1C3 3189/4885AKR1C2 2442/4885CYP1A2 1147/4885
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA AKR1C3 3189/4885AKR1C2 2442/4885CYP1A2 1147/4885

“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.