SCHEMBL4874815

SCHEMBL4874815

C=C(COC(C)=O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
NR1H4 Q96RI1 5/20 0.41
EPHX2 P34913 3/20 0.41
ESRRB O95718 1/20 0.40
ESRRG P62508 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
NR4A2 P43354 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NLRP3 Q96P20 1/20 0.39
RXRG P48443 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL9998592 0.80 ALDH1A1 (0.56) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL4884398 0.78 CNR2 (0.40) SMN1; SMN2LMNARXRARXRBNPC1
SCHEMBL1473993 0.78 HDAC1 (0.44) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL2092731 0.76 ALDH1A1 (0.60) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL9637962 0.74 LMNA (0.44) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL4689867 0.74 NR1H4 (0.51) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL3367890 0.73 LMNA (0.48) SMN1; SMN2LMNANR1H4EPHX2ESRRB
SCHEMBL10582742 0.73 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL1474515 0.73 ALDH1A1 (0.58) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL9362177 0.73 ESRRG (0.43) SMN1; SMN2LMNAMAPTNR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064624-A1 Organoleptic Compounds and Their Use in Perfume Compositions KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2008-03-13 US disclosed
US-20080064624-A1 Organoleptic Compounds and Their Use in Perfume Compositions KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2008-03-13 US disclosed
US-20080064624-A1 Organoleptic Compounds and Their Use in Perfume Compositions KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2008-03-13 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-20080064624-A1 Organoleptic Compounds and Their Use in Perfume Compositions CPT1A, CYP2E1, TRPA1 SMN1; SMN2 4501/4885LMNA 2837/4885MAPT 3463/4885

“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.