SCHEMBL3976181

SCHEMBL3976181

CCn1cc(C(=O)O)c(=O)c2cc(CCCN)ccc21.[Na]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
HSD17B10 Q99714 5/20 0.59
HPGD P15428 5/20 0.59
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 5/20 0.57
HTT P42858 3/20 0.57
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD3 P35462 1/20 0.47
POLB P06746 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
BRD4 O60885 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45

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
SCHEMBL5437272 0.99 KDM4E (0.60) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL3976165 0.98 KDM4E (0.59) KDM4EHSD17B10HPGDALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL3982421 0.93 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL4388671 0.89 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL4176893 0.88 KDM4E (0.61) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL3843176 0.88 KDM4E (0.56) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL3976168 0.87 KDM4E (0.46) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL13997241 0.87 HPGD (0.55) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL3978265 0.85 LMNA (0.65) KDM4EHSD17B10HPGDALDH1A1TSHR
Formic Acid SCHEMBL4385081 0.85 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds GLAXO GROUP LIMITED (GB) 2007-12-20 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP 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-1628989-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101584-A1 MACROLIDES SUBSTITUTED AT THE 3-POSITION HAVING ANTIMICROBIAL ACTIVITY GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
WO-2004101587-A1 NOVEL 14 AND 15 MEMBERRED-RING COMPOUNDS 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

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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A KDM4E 3840/4885HSD17B10 668/4885HPGD 1267/4885
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 KDM4E 3390/4885HSD17B10 287/4885HPGD 1054/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885HSD17B10 300/4885HPGD 2617/4885

“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.