SCHEMBL3404418

SCHEMBL3404418

CC1CC(=O)c2ccccc21.CC=CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
TYMS P04818 1/20 0.42
CYP19A1 P11511 3/20 0.41
CYP11B2 P19099 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
NOTUM Q6P988 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
S100A4 P26447 1/20 0.39
ADORA3 P0DMS8 2/20 0.37
AR P10275 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD11B1 P28845 1/20 0.37
AKR1C3 P42330 1/20 0.37
TSHR P16473 1/20 0.36
HTR2C P28335 2/20 0.35
MAOB P27338 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL181579 0.92 ACHE (0.48) ACHETYMSCYP19A1CYP11B2NOS3
SCHEMBL31326549 0.92 ACHE (0.48) ACHETYMSCYP19A1CYP11B2NOS3
SCHEMBL20368206 0.92 ACHE (0.48) ACHETYMSCYP19A1CYP11B2NOS3
SCHEMBL9367273 0.92 ACHE (0.48) ACHETYMSCYP19A1CYP11B2NOS3
SCHEMBL9372008 0.92 ACHE (0.48) ACHETYMSCYP19A1CYP11B2NOS3
SCHEMBL3470602 0.84 KDM4E (0.51) ACHETYMSCYP19A1CYP11B2NOTUM
SCHEMBL13383479 0.73 ACHE (0.41) ACHETYMSNOTUMCSNK2A2CSNK2A1
SCHEMBL8250749 0.73 ACHE (0.41) ACHETYMSNOTUMCSNK2A2CSNK2A1
SCHEMBL14169143 0.73 ACHE (0.41) ACHETYMSNOTUMCSNK2A2CSNK2A1
SCHEMBL1339938 0.73 ACHE (0.41) ACHETYMSNOTUMCSNK2A2CSNK2A1

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-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP disclosed
US-7538243-B2 Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2009-05-26 US disclosed
CN-1329365-C Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2007-08-01 CN disclosed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 US disclosed
CN-1615294-A Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2005-05-11 CN disclosed
EP-1340741-A1 Indane derivatives and their use in perfumery Givaudan SA (CH) 2003-09-03 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-20050148493-A1 Indanes and indanones and their use in perfumery NISCH, CYP1B1, CYP2E1 ACHE 295/4885TYMS 2114/4885CYP19A1 114/4885

“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.