SCHEMBL9542609

SCHEMBL9542609

CC1CC(C(C)(C)C)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR4 O00206 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
SCHEMBL7875344 0.87 CA1 (0.41) CA1CA2CA4KMT2AALDH1A1
SCHEMBL722265 0.78 ALDH1A1 (0.32) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL25610287 0.77 CA1 (0.30) CA1CA2CA4
SCHEMBL8318307 0.77 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL8316823 0.77 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL8318312 0.77 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL7759296 0.77 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL8316819 0.77 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL11141833 0.77 TLR4 (0.33) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL4664526 0.77 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD

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-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
CN-110418780-B Cyclohexene derivatives as perfuming ingredients 弗门尼舍有限公司 2023-02-28 CN disclosed
EP-3596036-B1 CYCLOHEXENE DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2022-02-09 EP disclosed
US-10934240-B2 Cyclohexene derivatives as perfuming ingredients FIRMENICH SA (CH) 2021-03-02 US disclosed
US-20200071253-A1 CYCLOHEXENE DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2020-03-05 US disclosed
WO-1993007119-A1 NOVEL ANTIMALARIAL PEROXIDES AND PROCESSES FOR THEIR PRODUCTION AND USE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-04-15 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-10934240-B2 Cyclohexene derivatives as perfuming ingredients C5, C1S, C1R CA1 2719/4885CA2 1656/4885CA4 2505/4885
US-20200071253-A1 CYCLOHEXENE DERIVATIVES AS PERFUMING INGREDIENTS C5, C1S, C1R CA1 2719/4885CA2 1656/4885CA4 2505/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B CA1 1478/4885CA2 276/4885CA4 3007/4885

“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.