SCHEMBL3979676

SCHEMBL3979676

CCn1cc(C(=O)O)c(=O)c2cc(O)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
HPGD P15428 5/20 0.70
ALDH1A1 P00352 5/20 0.70
HSD17B10 Q99714 4/20 0.70
TSHR P16473 2/20 0.70
RAB9A P51151 1/20 0.70
LMNA P02545 6/20 0.64
HTT P42858 2/20 0.64
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
APEX1 P27695 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ABCC4 O15439 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
DRD3 P35462 1/20 0.51
POLB P06746 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL11400089 0.89 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL7057692 0.86 KDM4E (0.70) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL9027382 0.84 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL30390219 0.84 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL27693950 0.84 LMNA (0.73) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL4969079 0.84 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL11948562 0.84 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL17189835 0.84 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL3006540 0.84 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL1366635 0.84 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
EP-1628990-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
EP-1625137-A1 MACROLIDES SUBSTITUTED AT THE 4''-POSITION GLAXO GROUP LIMITED (GB) 2006-02-15 EP disclosed
WO-2004101585-A1 MACROLIDES SUBSTITUDED AT THE 4'-POSITION GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
WO-2004101584-A1 MACROLIDES SUBSTITUTED AT THE 3-POSITION HAVING ANTIMICROBIAL ACTIVITY GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
WO-2004101588-A1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
US-4289777-A Quinolonecarboxylic acid derivatives and pharmaceutical preparations thereof for treatment of an allergic disease of the respiratory tract SCHERING, AKTIENGESELLSCHAFT (DE) 1981-09-15 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 (2 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A KDM4E 3840/4885HPGD 1267/4885ALDH1A1 2827/4885
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A KDM4E 1543/4885HPGD 2689/4885ALDH1A1 2288/4885

“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.