SCHEMBL15428186

SCHEMBL15428186

O=Cc1ccccc1C#CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.45
CYP1A2 P05177 1/20 0.45
KCNH2 Q12809 1/20 0.42
CREBBP Q92793 2/20 0.41
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
SRC P12931 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL29958070 0.91 LMNA (0.43) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL30134875 0.91 LMNA (0.43) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL11230748 0.74 KCNH2 (0.44) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL11230351 0.74 KCNH2 (0.44) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL11235725 0.74 GRM5 (0.49) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL11233698 0.74 GRM5 (0.49) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL9152622 0.74 GRM5 (0.49) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL11246729 0.74 GRM5 (0.49) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL11247306 0.74 CYP1A2 (0.49) GRM5CYP1A2KCNH2CREBBPBRD4
SCHEMBL11233853 0.74 GRM5 (0.49) GRM5CYP1A2KCNH2CREBBPBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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 (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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 GRM5 1139/4885CYP1A2 3647/4885KCNH2 187/4885

“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.