SCHEMBL3544324

SCHEMBL3544324

OC1CCC(Cc2cccc(C3=CCCCC3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ACMSD Q8TDX5 1/20 0.37
SERPINE1 P05121 1/20 0.37
HDAC2 Q92769 4/20 0.36
HDAC1 Q13547 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PAX8 Q06710 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
P2RX3 P56373 1/20 0.33

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
SCHEMBL16675855 0.77 CHRNB4 (0.53) HTR1AACMSDSERPINE1HDAC2HDAC1
SCHEMBL677309 0.73 HTR1A (0.46) HTR1AACMSDSERPINE1HDAC2HDAC1
SCHEMBL5383499 0.72 CHRNB4 (0.50) HTR1AACMSD
SCHEMBL30302079 0.72 CHRNB4 (0.50) HTR1AACMSD
SCHEMBL30503933 0.70 OPRM1 (0.51)
SCHEMBL17982807 0.70 S1PR1 (0.40) HRH3
SCHEMBL5387084 0.69 HTR1A (0.44) HTR1AACMSD
SCHEMBL16135204 0.69 HTR1A (0.44) HTR1AACMSDSERPINE1HDAC2HDAC1
SCHEMBL417070 0.69 ACMSD (0.51) ACMSDSERPINE1HDAC2HDAC1PRMT5
SCHEMBL15725255 0.68 HTR1A (0.47) HTR1AACMSDSERPINE1HDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732627-B2 High-purity cycloaliphatic diepoxy compound and preparation process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-08 US disclosed
US-20080045729-A1 High-Purity Cycloaliphatic Diepoxy Compound and Preparation Process Thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-02-21 US disclosed
EP-1834949-A1 HIGH-PURITY ALICYCLIC DIEPOXY COMPOUND AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 2007-09-19 EP disclosed
US-20070179256-A1 High-purity alicyclic epoxy compound, process for production of the same, curable epoxy resin composition, cured product thereof, and application thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-02 US disclosed
EP-1726588-A1 HIGH-PURITY ALICYCLIC EPOXY COMPOUND, PROCESS FOR PRODUCING THE SAME, CURABLE EPOXY RESIN COMPOSITION, CURED ARTICLE THEREOF, AND USE Daicel Chemical Industries, Ltd. (JP) 2006-11-29 EP 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-20080045729-A1 High-Purity Cycloaliphatic Diepoxy Compound and Preparation Process Thereof DUOX2, SQLE, HPD HTR1A 3751/4885BRD4 2639/4885CREBBP 3762/4885

“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.