SCHEMBL4884398

SCHEMBL4884398

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
IDO1 P14902 2/20 0.39
RAB9A P51151 7/20 0.38
NPC1 O15118 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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; SMN2HPGDRAB9ANPC1MEN1
SCHEMBL4874815 0.78 SMN1; SMN2 (0.43) RXRARXRBNLRP3SMN1; SMN2RAB9A
SCHEMBL873057 0.76 ALDH1A1 (0.60) RXRARXRBSMN1; SMN2IDO1RAB9A
SCHEMBL27110510 0.74 IDO1 (0.42) CNR2RXRARXRBNLRP3SMN1; SMN2
SCHEMBL13360688 0.74 CNR2 (0.42) CNR2RXRARXRBNLRP3SMN1; SMN2
SCHEMBL2309410 0.74 POLB (0.58) CNR2RXRARXRBNLRP3SMN1; SMN2
SCHEMBL11503253 0.74 IDO1 (0.45) CNR2RXRARXRBNLRP3SMN1; SMN2
SCHEMBL9636849 0.74 IDO1 (0.45) CNR2RXRARXRBNLRP3SMN1; SMN2
SCHEMBL10053298 0.73 L3MBTL1 (0.44) RXRARXRBSMN1; SMN2HPGDIDO1
SCHEMBL20708075 0.72 NPC1 (0.45) CNR2RXRARXRBNLRP3SMN1; SMN2

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 CNR2 15/4885RXRA 566/4885RXRB 492/4885

“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.