SCHEMBL8214068

SCHEMBL8214068

CCC(C)C=C(C)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
FAAH O00519 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
SCHEMBL8214063 1.00 ALDH1A1 (0.31) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL74357 0.83 GRIK1 (0.31) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL74358 0.83 GRIK1 (0.31) KDM4EMEN1POLBMAPTKMT2A
SCHEMBL554945 0.81 KDM4E (0.33) TDP1KDM4E
SCHEMBL554943 0.81 KDM4E (0.33) TDP1KDM4E
SCHEMBL1786546 0.81 CHRM1 (0.36) TDP1POLBKMT2ATSHRFAAH
SCHEMBL811456 0.81 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL811457 0.81 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL27805093 0.81 GRIK1 (0.31)
SCHEMBL1786543 0.81 CHRM1 (0.36) TDP1POLBKMT2ATSHRFAAH

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-20130065969-A9 Odour Compounds GIVAUDAN SA (CH) 2013-03-14 US disclosed
US-20120184630-A1 Odour Compounds KRAFT PHILIP (CH) 2012-07-19 US disclosed
EP-2475639-A2 ODOUR COMPOUNDS Givaudan SA (CH) 2012-07-18 EP disclosed
WO-2011029895-A2 ODOUR COMPOUNDS GIVAUDAN SA (CH) 2011-03-17 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 (2 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-20130065969-A9 Odour Compounds PRMT9, PRMT5, PRMT1 ALDH1A1 2749/4885TDP1 4605/4885KDM4E 434/4885
US-20120184630-A1 Odour Compounds PRMT9, PRMT5, PRMT1 ALDH1A1 2749/4885TDP1 4605/4885KDM4E 434/4885

“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.