SCHEMBL4898541

SCHEMBL4898541

CC12CCCC(=O)C1CCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
TRPA1 O75762 1/20 0.37
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT3 P40763 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SOAT1 P35610 1/20 0.31

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
SCHEMBL12859646 1.00 CYP19A1 (0.41) CYP19A1HTTCA1CA2CA4
SCHEMBL12464963 1.00 CYP19A1 (0.41) CYP19A1HTTCA1CA2CA4
SCHEMBL13176769 0.94 HTT (0.47) CYP19A1HTTCA1CA2CA4
SCHEMBL11884817 0.91 CYP19A1 (0.41) CYP19A1HTTCA1CA2CA4
Ethylene SCHEMBL27701965 0.83 HTT (0.46) CYP19A1HTTCA1CA2CA4
SCHEMBL15564163 0.80
SCHEMBL13801516 0.77 CYP19A1 (0.39) CYP19A1HTTCA1CA2CA4
SCHEMBL9738461 0.74
SCHEMBL13259635 0.72 TRPA1 (0.36) CYP19A1TRPA1CYP2D6CYP2C9CYP2C19
SCHEMBL2677519 0.71 CYP2D6 (0.33) CYP19A1HTTCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486441-A1 SILA-ANALOGUES OF VITAMIN D COMPOUNDS, METHOD OF PRODUCING SAID COMPOUNDS AND USES THEREOF REQUIMTE - Rede de Química e Tecnologia (PT) 2025-01-08 EP disclosed
CN-115947678-B Synthesis method of stable isotope 2H (D) marked 25-hydroxy vitamin D2 成都诺森医学检验有限公司 2024-01-16 CN disclosed
WO-2023161688-A1 SILA-ANALOGUES OF VITAMIN D COMPOUNDS, METHOD OF PRODUCING SAID COMPOUNDS AND USES THEREOF REQUIMTE - REDE DE QUÍMICA E TECNOLOGIA (PT) 2023-08-31 WO disclosed
US-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2008-11-13 US disclosed
EP-1622455-A2 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF Bioxell S.p.a. (IT) 2006-02-08 EP disclosed
WO-2004098522-A2 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2004-11-18 WO disclosed
EP-0647219-A1 DERIVATIVES IN THE VITAMIN D SERIES MODIFIED AT THE 20 POSITION, A METHOD OF PREPARING SUCH DERIVATIVES, INTERMEDIATES USED IN THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THE DERIVATIVES AND THEIR USE IN THE PREPARATION OF DRUGS. SCHERING AG (DE) 1995-04-12 EP disclosed
WO-1994000428-A1 DERIVATIVES IN THE VITAMIN D SERIES MODIFIED AT THE 20 POSITION, A METHOD OF PREPARING SUCH DERIVATIVES, INTERMEDIATES USED IN THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THE DERIVATIVES AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-06 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 (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-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF VDR, GC, CYP24A1 CYP19A1 342/4885HTT 1891/4885CA1 4479/4885

“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.