SCHEMBL2249369

SCHEMBL2249369

CC(=CO)Cc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.47
POLB P06746 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
IDO1 P14902 2/20 0.44
ACHE P22303 2/20 0.41
MAOB P27338 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL8848551 0.86 IDO1 (0.50) CTBP2POLBTAAR1IDO1ACHE
SCHEMBL20863392 0.83 TAAR1 (0.48) CTBP2POLBTAAR1IDO1ACHE
SCHEMBL8565964 0.80 CTBP2 (0.44) CTBP2POLBTAAR1IDO1ACHE
SCHEMBL27619612 0.79 CTBP2 (0.53) CTBP2POLBTAAR1IDO1ACHE
SCHEMBL16652316 0.79 CTBP2 (0.54) CTBP2POLBTAAR1MAOBL3MBTL1
SCHEMBL16652314 0.79 CTBP2 (0.54) CTBP2POLBTAAR1MAOBL3MBTL1
SCHEMBL6155435 0.77 CES1 (0.46) CTBP2MAOBL3MBTL1
SCHEMBL27522721 0.77 CES1 (0.46) CTBP2MAOBL3MBTL1
SCHEMBL3937723 0.77 CES1 (0.46) CTBP2MAOBL3MBTL1
SCHEMBL1699683 0.76 CTBP2 (0.59) CTBP2POLBTAAR1IDO1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US disclosed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US disclosed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP disclosed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US disclosed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 CTBP2 3281/4885POLB 1629/4885TAAR1 675/4885
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 CTBP2 3281/4885POLB 1629/4885TAAR1 675/4885

“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.