SCHEMBL4473487

SCHEMBL4473487

Cc1cc(I)ccc1OCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
SSTR4 P31391 1/20 0.40
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
HTR1A P08908 1/20 0.38
ESR1 P03372 4/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TLR8 Q9NR97 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6480994 0.81 KDM4E (0.39) KDM4ESSTR4L3MBTL1MAPTESR1
SCHEMBL3917609 0.81 KDM4E (0.39) KDM4ESSTR4L3MBTL1MAPTESR1
SCHEMBL8300246 0.81 ESR1 (0.51) KDM4EL3MBTL1MAPTESR1ALDH1A1
SCHEMBL1021607 0.81 HPGD (0.40) KDM4ESSTR4L3MBTL1MAPTALDH1A1
SCHEMBL7056362 0.81 L3MBTL1 (0.55) KDM4EL3MBTL1MAPTHTR1AALDH1A1
SCHEMBL26586908 0.80 KDM4E (0.38) KDM4ESSTR4L3MBTL1MAPTESR1
SCHEMBL9651856 0.79 IDO1 (0.44) KDM4EIDO1L3MBTL1MAPTTUBB1
SCHEMBL1020226 0.79 ESR1 (0.46) KDM4ESSTR4L3MBTL1MAPTESR1
SCHEMBL10078701 0.78 MRGPRX4 (0.48) KDM4ESSTR4IDO1L3MBTL1MAPT
SCHEMBL4487594 0.78 F2 (0.44) KDM4EIDO1L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 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 (4 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 KDM4E 1349/4885SSTR4 53/4885IDO1 214/4885
US-20050239826-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, GPR119 KDM4E 1398/4885SSTR4 108/4885IDO1 255/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R KDM4E 1450/4885SSTR4 65/4885IDO1 180/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 KDM4E 2256/4885SSTR4 101/4885IDO1 684/4885

“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.