SCHEMBL19553545

SCHEMBL19553545

CCC(C)c1ccc2c(c1)C(=O)C(C)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.55
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.35
METAP1 P53582 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
SCHEMBL29980268 1.00 ACHE (0.55) ACHEHDAC4HDAC2HDAC8USP2
SCHEMBL15822170 0.84 ACHE (0.62) ACHEHDAC4HDAC2HDAC8ALDH1A1
SCHEMBL6056909 0.74 HDAC4 (0.42) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL19553584 0.74 ACHE (0.62) ACHEALDH1A1METAP1
SCHEMBL19553658 0.74 ACHE (0.57) ACHEMETAP1
SCHEMBL29979613 0.74 ACHE (0.57) ACHEMETAP1
SCHEMBL22553427 0.74 ACHE (0.57) ACHEMETAP1
SCHEMBL22553468 0.74 ACHE (0.57) ACHEMETAP1
SCHEMBL29980503 0.74 ACHE (0.57) ACHEMETAP1
SCHEMBL29979392 0.74 ACHE (0.57) ACHEMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497192-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-12-22 EP claimed
CN-109563438-B Organic compounds 奇华顿股份有限公司 2022-11-04 CN disclosed
EP-3707120-B1 ALDEHYDES FOR USE AS ODORANTS GIVAUDAN SA (CH) 2022-01-05 EP disclosed
EP-3497192-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-12-22 EP disclosed
US-11020333-B2 Organic compounds GIVAUDAN S.A. (CH) 2021-06-01 US disclosed
EP-3497078-B1 PROCESS FOR THE PREPARATION OF INDANONES GIVAUDAN SA (CH) 2020-12-23 EP disclosed
EP-3497078-B1 PROCESS FOR THE PREPARATION OF INDANONES GIVAUDAN SA (CH) 2020-12-23 EP disclosed
US-20200330346-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2020-10-22 US disclosed
EP-3707120-A1 ALDEHYDES FOR USE AS ODORANTS Givaudan SA (CH) 2020-09-16 EP disclosed
US-20190263743-A1 Process for the Preparation of Idnanones GIVAUDAN SA (CH) 2019-08-29 US disclosed
EP-3497192-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2019-06-19 EP disclosed
WO-2017191331-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-11-09 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-20190263743-A1 Process for the Preparation of Idnanones DCXR, INSRR, IDUA ACHE 2474/4885HDAC4 1861/4885HDAC2 454/4885
US-20200330346-A1 ORGANIC COMPOUNDS C5, C1S, CBR3 ACHE 920/4885HDAC4 1710/4885HDAC2 405/4885
US-11020333-B2 Organic compounds C5, CBR3, C1S ACHE 928/4885HDAC4 1721/4885HDAC2 402/4885

“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.