SCHEMBL2889884

SCHEMBL2889884

CC(C)(C)Cc1cccc(CC(C)(C)C)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
ALDH1A1 P00352 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ESR1 P03372 1/20 0.31
ERN1 O75460 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3022708 0.78 ALDH1A1 (0.38) ALDH1A1GABRA1GABRB2TDP1MEN1
SCHEMBL4088533 0.77 LMNA (0.48) RIPK1ALDH1A1GABRA1GABRB2TDP1
SCHEMBL320588 0.77 GABRA1 (0.50) ALDH1A1GABRA1GABRB2TDP1MEN1
SCHEMBL8431195 0.75 ERN1 (0.50) RIPK1ALDH1A1GABRA1GABRB2TDP1
SCHEMBL1275278 0.75 RIPK1 (0.44) RIPK1GABRA1GABRB2LMNATHRA
SCHEMBL6685097 0.73 RIPK1 (0.56) RIPK1GABRA1GABRB2LMNAESR1
SCHEMBL10351355 0.71 GABRA1 (0.39) ALDH1A1GABRA1GABRB2TDP1MEN1
SCHEMBL2082859 0.71 NPC1 (0.39) RIPK1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL19860487 0.71 RIPK1 (0.35) RIPK1
SCHEMBL6038253 0.70 ALDH1A1 (0.42) ALDH1A1GABRA1GABRB2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645914-B2 Method for the telomerization of non-cyclic olefins EVONIK OXENO GMBH (DE) 2010-01-12 US disclosed
US-20070213574-A1 METHOD FOR THE TELOMERIZATION OF NON-CYCLIC OLEFINS EVONIK DEGUSSA GMBH (DE) 2007-09-13 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-20070213574-A1 METHOD FOR THE TELOMERIZATION OF NON-CYCLIC OLEFINS TELO2, PCNA, TERT RIPK1 4235/4885ALDH1A1 3690/4885GABRA1 4648/4885

“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.