SCHEMBL4484879

SCHEMBL4484879

CC(=O)c1cc(I)ccc1OCCO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAP2K1 Q02750 1/20 0.39
BRPF1 P55201 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4484005 0.84 IDO1 (0.36) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL18205716 0.82 LMNA (0.56) LMNASMN1; SMN2KDM4EALDH1A1PTGDR2
SCHEMBL21436682 0.81 NPC1 (0.53) LMNASMN1; SMN2KDM4EALDH1A1PTGDR2
SCHEMBL4480934 0.81 PTGDR2 (0.68) LMNASMN1; SMN2KDM4EALDH1A1PTGDR2
SCHEMBL5753596 0.81 SMN1; SMN2 (0.54) LMNASMN1; SMN2KDM4EALDH1A1PTGDR2
SCHEMBL9732329 0.78 HTT (0.48) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7636687 0.76 LMNA (0.74) LMNASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4473487 0.76 KDM4E (0.40) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL25015012 0.75 MAPT (0.48) SMN1; SMN2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7646111 0.74 CA9 (0.51) LMNASMN1; SMN2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 LMNA 3218/4885SMN1; SMN2 2309/4885KDM4E 2256/4885

“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.