SCHEMBL16245656

SCHEMBL16245656

Cc1ccc(CCCC(C)C)cc1CC(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SKP2 Q13309 1/20 0.30
FUT7 Q11130 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL16245778 0.91 TP53 (0.41) GRIN2DGRIN2AGRIN2BGRIN2CTP53
SCHEMBL16245736 0.83 GABRA1 (0.46) TP53TSHRGABRA1GABRB2CYP2C9
SCHEMBL16245758 0.81 GRIN2D (0.43) GRIN2DGRIN2AGRIN2BGRIN2CHIF1A
SCHEMBL16245798 0.80 TSHR (0.44) TP53TSHRGABRA1GABRB2
SCHEMBL28038237 0.74 TP53 (0.39) GRIN2DGRIN2AGRIN2BGRIN2CTP53
SCHEMBL16245721 0.72 GRIN2D (0.43) GRIN2DGRIN2AGRIN2BGRIN2CHIF1A
SCHEMBL16245795 0.72 LMNA (0.44) TP53TSHR
SCHEMBL16245691 0.72 GRIN2D (0.33) GRIN2DGRIN2AGRIN2BGRIN2CGABRA1
SCHEMBL16245727 0.71 GRIN2D (0.42) GRIN2DGRIN2AGRIN2BGRIN2CHIF1A
SCHEMBL29671369 0.71 TSHR (0.44) TP53TSHRGABRA1GABRB2CYP2C9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 EP claimed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 US claimed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 US claimed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 EP claimed
CN-105189432-A Improvements in or relating to organic compounds GIVAUDAN SA 2015-12-23 CN claimed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 WO claimed
EP-3581554-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-04-20 EP disclosed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 US disclosed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 US disclosed
EP-2994448-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2019-07-31 EP disclosed
US-20180251706-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-09-06 US disclosed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 US disclosed
US-9988592-B2 Organic compounds Givaudan, S.A. (CH) 2018-06-05 US disclosed
US-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 US disclosed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 US disclosed
US-20160075627-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-03-17 US disclosed
EP-2994448-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2016-03-16 EP disclosed
CN-105189432-A Improvements in or relating to organic compounds GIVAUDAN SA 2015-12-23 CN disclosed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 WO disclosed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 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 (3 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-20160075627-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK GRIN2D 3286/4885GRIN2A 3578/4885GRIN2B 3280/4885
US-20180251706-A1 ORGANIC COMPOUNDS AOX1, TYR, ALK GRIN2D 3286/4885GRIN2A 3578/4885GRIN2B 3280/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK GRIN2D 3286/4885GRIN2A 3578/4885GRIN2B 3280/4885

“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.