SCHEMBL4665908

SCHEMBL4665908

COC(=O)COc1ccc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
MAOA P21397 2/20 0.53
LTA4H P09960 2/20 0.47
PTGS2 P35354 1/20 0.47
NOTUM Q6P988 1/20 0.46
MAOB P27338 1/20 0.46
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
BACE1 P56817 2/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARD Q03181 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43

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
SCHEMBL6486614 0.88 MEN1 (0.57) HDAC1MAOAPTGS2NOTUMALDH1A1
SCHEMBL4665845 0.86 PDE3B (0.55) HDAC1MAOALTA4HTHRATHRB
SCHEMBL2942026 0.83 PTPN7 (0.58) HDAC1MAOALTA4HKDM4EHSD17B10
SCHEMBL29843519 0.83 PTPN7 (0.58) HDAC1MAOALTA4HKDM4EHSD17B10
SCHEMBL8983204 0.79 MAOA (0.60) HDAC1MAOALTA4HMAOBTHRA
SCHEMBL27505830 0.77 MAOA (0.57) HDAC1MAOAMAOBTHRATHRB
SCHEMBL2013244 0.77 MAOA (0.61) HDAC1MAOAPTGS2MAOBTHRA
SCHEMBL11259267 0.76 LTA4H (0.52) HDAC1MAOALTA4HMAOBKDR
SCHEMBL30360394 0.76 PTPN7 (0.67) ALDH1A1MEN1KMT2A
SCHEMBL2474817 0.76 PTPN7 (0.67) ALDH1A1MEN1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 WO disclosed
US-20080234349-A1 PPAR active compounds PLEXXIKON INC. 2008-09-25 US disclosed
US-20080234349-A1 PPAR active compounds PLEXXIKON INC. 2008-09-25 US disclosed
US-20080234349-A1 PPAR active compounds PLEXXIKON INC. 2008-09-25 US disclosed
EP-1931658-A2 1 , 4 AND 1 , 5-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-06-18 EP disclosed
WO-2007030574-A2 1 , 4 AND 1 , 5-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030574-A2 1 , 4 AND 1 , 5-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
US-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions KALYPSYS, INC. (US) 2005-09-15 US disclosed
WO-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 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 (3 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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions PPARG, PPARD, PPARA HDAC1 381/4885MAOA 3295/4885LTA4H 747/4885
US-20080234349-A1 PPAR active compounds PPARG, PPARA, PPARD HDAC1 227/4885MAOA 4357/4885LTA4H 1796/4885
US-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 HDAC1 3836/4885MAOA 457/4885LTA4H 80/4885

“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.