SCHEMBL7940736

SCHEMBL7940736

COc1ccc(C(=O)COCCC(C)CCC=C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSK3B P49841 1/20 0.41
ESR2 Q92731 1/20 0.41
NFE2L2 Q16236 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL4399313 0.88 ALOX15 (0.46) ALOX15HDAC3HDAC4HDAC1HDAC7
SCHEMBL17861084 0.88 ALOX15 (0.50) ALOX15MAPTALDH1A1GSK3BNFE2L2
SCHEMBL19680580 0.88 ALOX15 (0.50) ALOX15MAPTALDH1A1GSK3BNFE2L2
SCHEMBL17861078 0.88 ALOX15 (0.50) ALOX15MAPTALDH1A1GSK3BNFE2L2
SCHEMBL7948852 0.88 ALOX15 (0.50) ALOX15MAPTALDH1A1ESR2NFE2L2
SCHEMBL19680576 0.86 ALOX15 (0.51) ALOX15MAPTALDH1A1HSD17B10NFE2L2
SCHEMBL17861023 0.86 ALOX15 (0.51) ALOX15MAPTALDH1A1HSD17B10NFE2L2
SCHEMBL17861077 0.86 ALOX15 (0.51) ALOX15MAPTALDH1A1HSD17B10NFE2L2
SCHEMBL7940744 0.82 ALOX15 (0.45) ALOX15HDAC1HDAC8MAPTALDH1A1
SCHEMBL13754147 0.81 ALOX15 (0.48) ALOX15HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233781-B1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO KGAA (DE) 2019-08-28 EP disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 US disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 US disclosed
WO-2016096539-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2016-06-23 WO disclosed
US-6258854-B1 KETONE ETHERS FOR ODORS GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) 2001-07-10 US disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 EP 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-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 ALOX15 417/4885HDAC3 2728/4885HDAC4 3080/4885

“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.